Browse by Current Cardiff authors

Bufano, Marianna, Laudette, Marion, Blondeau, Jean-Paul, Lezoualc'h, Frank, Nalli, Marianna, Silvestri, Romano, Brancale, Andrea and Coluccia, Antonio 2020. Modeling Epac1 interactions with the allosteric inhibitor AM-001 by co-solvent molecular dynamics. Journal of Computer-Aided Molecular Design 34 , pp. 1171-1179. 10.1007/s10822-020-00332-y

Pasqualetto, Gaia, Schepelmann, Martin, Varricchio, Carmine, Pileggi, Elisa, Khogali, Caroline, Morgan, Siân R., Boostrom, Ian, Rozanowska, Malgorzata, Brancale, Andrea, Ferla, Salvatore and Bassetto, Marcella 2020. Computational studies towards the identification of novel rhodopsin-binding compounds as chemical chaperones for misfolded opsins. Molecules 25 (21) , 4904. 10.3390/molecules25214904

Zelek, Wioleta M., Menzies, Georgina E., Brancale, Andrea, Stockinger, Brigitta and Morgan, B. Paul 2020. Characterising the original anti-C5 function-blocking antibody, BB5.1, for species specificity, mode of action and interactions with C5. Immunology 161 (2) , pp. 103-113. 10.1111/imm.13228

Newland, Ben, Varricchio, Carmine, Körner, Yvonne, Hoppe, Franziska, Taplan, Christian, Newland, Heike, Eigel, Dimitri, Tornillo, Giusy, Pette, Dagmar, Brancale, Andrea, Welzel, Petra B., Seib, F. Philipp and Werner, Carsten 2020. Focal drug administration via heparin-containing cryogel microcarriers reduces cancer growth and metastasis. Carbohydrate Polymers 245 , 116504. 10.1016/j.carbpol.2020.116504 Item availability restricted.

Fernández-García, Yaiza, Horst, Sebastiaan ter, Bassetto, Marcella, Brancale, Andrea, Neyts, Johan, Rogolino, Dominga, Sechi, Mario, Carcelli, Mauro, Günther, Stephan and Rocha-Pereira, Joana 2020. Diketo acids inhibit the cap-snatching endonuclease of several Bunyavirales. Antiviral Research , 104947. 10.1016/j.antiviral.2020.104947 Item availability restricted.

Thames, Joy E., Waters, Charles D., Valle, Coralie, Bassetto, Marcella, Aouadi, Wahiba, Martin, Baptiste, Selisko, Barbara, Falat, Arissa, Coutard, Bruno, Brancale, Andrea, Canard, Bruno, Decroly, Etienne and Seley-Radtke, Katherine L. 2020. Synthesis and biological evaluation of novel flexible nucleoside analogues that inhibit flavivirus replication in vitro. Bioorganic and Medicinal Chemistry , 115713. 10.1016/j.bmc.2020.115713 Item availability restricted.

Oliva, Paola, Romagnoli, Romeo, Manfredini, Stefano, Brancale, Andrea, Ferla, Salvatore, Hamel, Ernest, Ronca, Roberto, Maccarinelli, Federica, Giacomini, Arianna, Rruga, Fatlum, Mariotto, Elena, Viola, Giampietro and Bortolozzi, Roberta 2020. Design, synthesis, in vitro and in vivo biological evaluation of 2-amino-3-aroylbenzo[b]furan derivatives as highly potent tubulin polymerization inhibitors. European Journal of Medicinal Chemistry 200 , 112448. 10.1016/j.ejmech.2020.112448 Item availability restricted.

ter Horst, Sebastiaan, Fernandez-Garcia, Yaiza, Bassetto, Marcella, Günther, Stephan, Brancale, Andrea, Neyts, Johan and Rocha-Pereira, Joana 2020. Enhanced efficacy of endonuclease inhibitor baloxavir acid against orthobunyaviruses when used in combination with ribavirin. Journal of Antimicrobial Chemotherapy 10.1093/jac/dkaa337 Item availability restricted.

Manganaro, Roberto, Zonsics, Birgit, Bauer, Lisa, Lorenzo Lopez, Moira, Donselaar, Tim, Zwaagstra, Marleen, Saporito, Fabiana, Ferla, Salvatore, Strating, Jeroen R. P. M., Coutard, Bruno, Hurdiss, Daniel L., van Kuppeveld, Frank J. M. and Brancale, Andrea 2020. Synthesis and antiviral effect of novel fluoxetine analogues as enterovirus 2C inhibitors. Antiviral Research 178 , 104781. 10.1016/j.antiviral.2020.104781 Item availability restricted.

Zhao, Fei, Masci, Domiziana, Ferla, Salvatore, Varricchio, Carmine, Brancale, Andrea, Colonna, Serena, Black, Gary W., Turner, Nicholas J. and Castagnolo, Daniele 2020. Monoamine oxidase (MAO-N) biocatalyzed synthesis of indoles from indolines prepared via photocatalytic cyclization/arylative dearomatization. ACS Catalysis 10 (11) , pp. 6414-6421. 10.1021/acscatal.0c01351 Item availability restricted.

Varricchio, C., Beirne, K., Heard, C., Newland, B., Rozanowska, M., Brancale, A. and Votruba, M. 2020. The ying and yang of idebenone: Not too little, not too much - cell death in NQO1 deficient cells and the mouse retina. Free Radical Biology and Medicine 152 , pp. 551-560. 10.1016/j.freeradbiomed.2019.11.030 Item availability restricted.

Grimes, Leanne, Griffiths, Julia, Pasqualetto, Gaia, Brancale, Andrea, Kemp, Paul J., Young, Mark T. and van der Goes van Naters, Wynand 2020. Drosophila taste neurons as an agonist-screening platform for P2X receptors. Scientific Reports 10 (1) , 8292. 10.1038/s41598-020-65169-9

Bugert, J. J., Hucke, F., Zanetta, P., Bassetto, M. and Brancale, A. 2020. Antivirals in medical biodefense. Virus Genes 56 (2) , pp. 150-167. 10.1007/s11262-020-01737-5

Ferla, Salvatore, Manganaro, Roberto, Benato, Sara, Paulissen, Jasmine, Neyts, Johan, Jochmans, Dirk, Brancale, Andrea and Bassetto, Marcella 2020. Rational modifications, synthesis and biological evaluation of new potential antivirals for RSV designed to target the M2-1 protein. Bioorganic and Medicinal Chemistry 28 (8) , 115401. 10.1016/j.bmc.2020.115401

Hewitt, Melissa G., Morrison, Peter W. J., Boostrom, Hannah M., Morgan, Siân R., Fallon, Melissa, Lewis, Philip N., Whitaker, David, Brancale, Andrea, Varricchio, Carmine, Quantock, Andrew J., Burton, Matthew J. and Heard, Charles M. 2020. In Vitro Topical Delivery of Chlorhexidine to the Cornea: Enhancement Using Drug-Loaded Contact Lenses and β-Cyclodextrin Complexation, and the Importance of Simulating Tear Irrigation. Molecular Pharmaceutics 17 (4) , pp. 1428-1441. 10.1021/acs.molpharmaceut.0c00140 Item availability restricted.

Romagnoli, Romeo, Prencipe, Filippo, Oliva, Paola, Cacciari, Barbara, Balzarini, Jan, Liekens, Sandra, Hamel, Ernest, Brancale, Andrea, Ferla, Salvatore, Manfredini, Stefano, Zurlo, Matteo, Finotti, Alessia and Gambari, Roberto 2020. Synthesis and biological evaluation of new antitubulin agents containing 2-(3?,4?,5?-trimethoxyanilino)-3,6-disubstituted-4,5,6,7-tetrahydrothieno[2,3-c]pyridine scaffold. Molecules 25 (7) , 1690. 10.3390/molecules25071690

Albulescu, Irina C., White-Scholten, Leonie, Tas, Ali, Hoornweg, Tabitha E., Ferla, Salvatore, Kovacikova, Kristina, Smit, Jolanda M., Brancale, Andrea, Snijder, Eric J. and van Hemert, Martijn J. 2020. Suramin inhibits Chikungunya virus replication by interacting with virions and blocking the early steps of infection. Viruses 12 (3) , 314. 10.3390/v12030314

Giancotti, Gilda, Rigo, Ilaria, Pasqualetto, Gaia, Young, Mark T., Neyts, Johan, Rocha-Pereira, Joana, Brancale, Andrea, Ferla, Salvatore and Bassetto, Marcella 2019. A new antiviral scaffold for human norovirus identified with computer-aided approaches on the viral polymerase. Scientific Reports 9 (1) , 18413. 10.1038/s41598-019-54903-7

Whatley, Kezia C. L., Padalino, Gilda, Whiteland, Helen, Geyer, Kathrin K., Hulme, Benjamin J., Chalmers, Iain W., Forde-Thomas, Josephine, Ferla, Salvatore, Brancale, Andrea and Hoffmann, Karl F. 2019. The repositioning of epigenetic probes/inhibitors identifies new anti-schistosomal lead compounds and chemotherapeutic targets. PLOS Neglected Tropical Diseases 13 (11) , e0007693. 10.1371/journal.pntd.0007693

Pertusati, Fabrizio, Ferla, Salvatore, Bassetto, Marcella, Brancale, Andrea, Kandil, Sahar, Westwell, Andrew D. and McGuigan, Christopher 2019. A new series of bicalutamide, enzalutamide and enobosarm derivatives carrying pentafluorosulfanyl (SF5) and pentafluoroethyl (C2F5) substituents: Improved antiproliferative agents against prostate cancer. European Journal of Medicinal Chemistry 180 , pp. 1-14. 10.1016/j.ejmech.2019.07.001

Bauer, Lisa, Manganaro, Roberto, Zonsics, Birgit, Strating, Jeroen R. P. M., El Kazzi, Priscila, Lorenzo Lopez, Moira, Ulferts, Rachel, van Hoey, Clara, Maté, Maria J., Langer, Thierry, Coutard, Bruno, Brancale, Andrea and van Kuppeveld, Frank J. M. 2019. Fluoxetine inhibits enterovirus replication by targeting the viral 2C protein in a stereospecific manner. ACS Infectious Diseases 5 (9) , pp. 1609-1623. 10.1021/acsinfecdis.9b00179

Bordoni, Cinzia, Cima, Cecilia Maria, Azzali, Elisa, Costantino, Gabriele and Brancale, Andrea 2019. Microwave-assisted organic synthesis of nucleoside ProTide analogues. RSC Advances 9 (35) , pp. 20113-20117. 10.1039/C9RA01754B

Płaszczyca, Anna, Scaturro, Pietro, Neufeldt, Christopher John, Cortese, Mirko, Cerikan, Berati, Ferla, Salvatore, Brancale, Andrea, Pichlmair, Andreas and Bartenschlager, Ralf 2019. A novel interaction between dengue virus nonstructural protein 1 and the NS4A-2K-4B precursor is required for viral RNA replication but not for formation of the membranous replication organelle. PLoS Pathogens 15 (5) , e1007736. 10.1371/journal.ppat.1007736

Morigi, Rita, Locatelli, Alessandra, Leoni, Alberto, Rambaldi, Mirella, Bortolozzi, Roberta, Mattiuzzo, Elena, Ronca, Roberto, Maccarinelli, Federica, Hamel, Ernest, Bai, Ruoli, Brancale, Andrea and Viola, Giampietro 2019. Synthesis, in vitro and in vivo biological evaluation of substituted 3-(5-imidazo[2,1-b]thiazolylmethylene)-2-indolinones as new potent anticancer agents. European Journal of Medicinal Chemistry 166 , pp. 514-530. 10.1016/j.ejmech.2019.01.049

Bassetto, Marcella, Van Dycke, Jana, Neyts, Johan, Brancale, Andrea and Rocha-Pereira, Joana 2019. Targeting the viral polymerase of diarrhea-causing viruses as a strategy to develop a single broad-spectrum antiviral therapy. Viruses 11 (2) , 173. 10.3390/v11020173

Romagnoli, Romeo, Prencipe, Filippo, Oliva, Paola, Baraldi, Stefania, Baraldi, Pier Giovanni, Schiaffino Ortega, Santiago, Chayah, Mariem, Kimatrai Salvador, Maria, Lopez-Cara, Luisa Carlota, Brancale, Andrea, Ferla, Salvatore, Hamel, Ernest, Ronca, Roberto, Bortolozzi, Roberta, Mariotto, Elena, Mattiuzzo, Elena and Viola, Giampietro 2019. Design, synthesis, and biological evaluation of 6-Substituted Thieno[3,2-d]pyrimidine analogues as dual epidermal growth factor receptor kinase and microtubule inhibitors. Journal of Medicinal Chemistry 62 (3) , pp. 1274-1290. 10.1021/acs.jmedchem.8b01391

Fosu-Mensah, Nelly A., Jiang, Wen, Brancale, Andrea, Cai, Jun and Westwell, Andrew D. 2019. The discovery of purine-based agents targeting triple-negative breast cancer and the αB-crystallin/VEGF protein-protein interaction. Medicinal Chemistry Research 28 (2) , pp. 182-202. 10.1007/s00044-018-2275-9

Pileggi, Elisa, Pasqualetto, Gaia, Rozanowska, Malgorzata, Brancale, Andrea and Bassetto, Marcella 2019. Development of novel treatments against inherited blinding diseases Retinitis pigmentosa and Leber's congenital amaurosis. Abstracts of Papers of the American Chemical Society 257

Bauer, Lisa, Ferla, Salvatore, Head, Sarah A., Bhat, Shridhar, Pasunooti, Kalyan K., Shi, Wei Q., Albulescu, Lucian, Liu, Jun O., Brancale, Andrea, van Kuppeveld, Frank J.M. and Strating, Jeroen R.P.M. 2018. Structure-activity relationship study of itraconazole, a broad-range inhibitor of picornavirus replication that targets oxysterol-binding protein (OSBP). Antiviral Research 156 , pp. 55-63. 10.1016/j.antiviral.2018.05.010

Romagnoli, Romeo, Prencipe, Filippo, Oliva, Paola, Baraldi, Stefania, Baraldi, Pier Giovanni, Brancale, Andrea, Ferla, Salvatore, Hamel, Ernest, Bortolozzi, Roberta and Viola, Giampietro 2018. 3-Aryl/Heteroaryl-5-amino-1-(3′,4′,5′-trimethoxybenzoyl)-1,2,4-triazoles as antimicrotubule agents. design, synthesis, antiproliferative activity and inhibition of tubulin polymerization. Bioorganic Chemistry 80 , pp. 361-374. 10.1016/j.bioorg.2018.06.037

Giancotti, Gilda, Cancellieri, Michela, Balboni, Andrea, Giustiniano, Mariateresa, Novellino, Ettore, Delang, Leen, Neyts, Johan, Leyssen, Pieter, Brancale, Andrea and Bassetto, Marcella 2018. Rational modifications on a benzylidene-acrylohydrazide antiviral scaffold, synthesis and evaluation of bioactivity against Chikungunya virus. European Journal of Medicinal Chemistry 149 , pp. 56-68. 10.1016/j.ejmech.2018.02.054

Ferla, Salvatore, Netzler, Natalie E., Ferla, Sebastiano, Veronese, Sofia, Tuipulotu, Daniel Enosi, Guccione, Salvatore, Brancale, Andrea, White, Peter A. and Bassetto, Marcella 2018. In silico screening for human norovirus antivirals reveals a novel non-nucleoside inhibitor of the viral polymerase. Scientific Reports 8 (4129) , 4129. 10.1038/s41598-018-22303-y

Tardugno, Roberta, Giancotti, Gilda, De Burghgraeve, Tine, Delang, Leen, Neyts, Johan, Leyssen, Pieter, Brancale, Andrea and Bassetto, Marcella 2018. Design, synthesis and evaluation against Chikungunya virus of novel small-molecule antiviral agents. Bioorganic and Medicinal Chemistry 26 (4) , pp. 869-874. 10.1016/j.bmc.2018.01.002

Pasqualetto, Gaia, Brancale, Andrea and Young, Mark T. 2018. The molecular determinants of small-molecule ligand binding at P2X receptors. Frontiers in Pharmacology 9 , 58. 10.3389/fphar.2018.00058

Slusarczyk, Magdalena, Ferla, Salvatore, Brancale, Andrea and McGuigan, Christopher 2018. Synthesis and biological evaluation of 6-substituted-5-fluorouridine ProTides. Bioorganic and Medicinal Chemistry 26 (3) , pp. 551-565. 10.1016/j.bmc.2017.11.037

Ferrara, M., Sessa, G., Fiore, M., Bernard, F., Asteriti, I. A., Cundari, E., Colotti, G., Ferla, S., Desideri, M., Buglioni, S., Trisciuoglio, D., Del Bufalo, D., Brancale, A. and Degrassi, F. 2018. Small molecules targeted to the microtubule-Hec1 interaction inhibit cancer cell growth through microtubule stabilization. Oncogene 37 , pp. 231-240. 10.1038/onc.2017.320

Romagnoli, Romeo, Kimatrai Salvador, Maria, Schiaffino Ortega, Santiago, Baraldi, Pier Giovanni, Oliva, Paola, Baraldi, Stefania, Lopez-Cara, Luisa Carlota, Brancale, Andrea, Ferla, Salvatore, Hamel, Ernest, Balzarini, Jan, Liekens, Sandra, Mattiuzzo, Elena, Basso, Giuseppe and Viola, Giampietro 2018. 2-Alkoxycarbonyl-3-arylamino-5-substituted thiophenes as a novel class of antimicrotubule agents: Design, synthesis, cell growth and tubulin polymerization inhibition. European Journal of Medicinal Chemistry 143 , pp. 683-698. 10.1016/j.ejmech.2017.11.096

Lauder, Sarah N., Allen-Redpath, Keith, Slatter, David A., Aldrovandi, Maceler, O'Connor, Anne, Farewell, Daniel, Percy, Charles L., Molhoek, Jessica E., Rannikko, Sirpa, Tyrrell, Victoria J., Ferla, Salvatore, Milne, Ginger L., Poole, Alastair W., Thomas, Christopher P., Obaji, Samya, Taylor, Philip R., Jones, Simon A., deGroot, Philip G., Urbanus, Rolf T., Horkko, Sohvi, Uderhardt, Stefan, Ackermann, Jochen, Jenkins, P. Vince, Brancale, Andrea, Kronke, Gerhard, Collins, Peter W. and O'Donnell, Valerie B. 2017. Networks of enzymatically oxidized membrane lipids support calcium-dependent coagulation factor binding to maintain hemostasis. Science Signaling 10 (507) , eaan2787. 10.1126/scisignal.aan2787

Netzler, Natalie E., Enosi Tuipulotu, Daniel, Eltahla, Auda A., Lun, Jennifer H., Ferla, Salvatore, Brancale, Andrea, Urakova, Nadya, Frese, Michael, Strive, Tanja, Mackenzie, Jason M. and White, Peter A. 2017. Broad-spectrum non-nucleoside inhibitors for caliciviruses. Antiviral Research 146 , pp. 65-75. 10.1016/j.antiviral.2017.07.014

Derudas, Marco, Vanpouille, Christophe, Carta, Davide, Zicari, Sonia, Andrei, Graciela, Snoeck, Robert, Brancale, Andrea, Margolis, Leonid, Balzarini, Jan and McGuigan, Christopher 2017. Virtual screening of acyclovir derivatives as potential antiviral agents: design, synthesis, and biological evaluation of new acyclic nucleoside protides. Journal of Medicinal Chemistry 60 (18) , pp. 7876-7896. 10.1021/acs.jmedchem.7b01009

Famiglini, Valeria, La Regina, Giuseppe, Coluccia, Antonio, Masci, Domiziana, Brancale, Andrea, Badia, Roger, Riveira Muñoz, Eva, Este, Jose A., Crespan, Emmanuele, Brambilla, Alessandro, Maga, Giovanni, Catalano, Myriam, Limatola, Cristina, Formica, Francesca Romana Romana, Cirilli, Roberto, Novellino, Ettore and Silvestri, Romano 2017. Chiral indolylarylsulfone non-nucleoside reverse transcriptase inhibitors as new potent and broad spectrum anti-HIV-1 agents. Journal of Medicinal Chemistry 60 (15) , pp. 6528-6547. 10.1021/acs.jmedchem.6b01906

Bassetto, Marcella, Ferla, Salvatore, Giancotti, Gilda, Pertusati, Fabrizio, Westwell, Andrew D., Brancale, Andrea and McGuigan, Christopher 2017. Rational design and synthesis of novel phenylsulfonyl-benzamides as anti-prostate cancer agents. MedChemComm 8 (7) , pp. 1414-1420. 10.1039/C7MD00164A

La Regina, Giuseppe, Bai, Ruoli, Coluccia, Antonio, Famiglini, Valeria, Passacantilli, Sara, Naccarato, Valentina, Ortar, Giorgio, Mazzoccoli, Carmela, Ruggieri, Vitalba, Agriesti, Francesca, Piccoli, Claudia, Tataranni, Tiziana, Nalli, Marianna, Brancale, Andrea, Vultaggio, Stefania, Mercurio, Ciro, Varasi, Mario, Saponaro, Concetta, Sergio, Sara, Maffia, Michele, Coluccia, Addolorata Maria Luce, Hamel, Ernest and Silvestri, Romano 2017. 3-Aroyl-1,4-diarylpyrroles inhibit chronic myeloid leukemia cell growth through an interaction with tubulin. ACS Medicinal Chemistry Letters 8 (5) , pp. 521-526. 10.1021/acsmedchemlett.7b00022

James, Edward, Pertusati, Fabrizio, Brancale, Andrea and McGuigan, Christopher 2017. Kinase-independent phosphoramidate S1P1 receptor agonist benzyl ether derivatives. Biorganic and Medicinal Chemistry Letters 27 (6) , pp. 1371-1378. 10.1016/j.bmcl.2017.02.011

Brancale, Andrea, Shailubhai, Kunwar, Ferla, Salvatore, Ricci, Antonio, Bassetto, Marcella and Jacob, Gary S. 2017. Therapeutically targeting guanylate cyclase-C: computational modeling of plecanatide, a uroguanylin analog. Pharmacology Research & Perspectives 5 (2) , e00295. 10.1002/prp2.295

Bassetto, Marcella, Leyssen, Pieter, Neyts, Johan, Yerukhimovich, Mark M., Frick, David N. and Brancale, Andrea 2017. Shape-based virtual screening, synthesis and evaluation of novel pyrrolone derivatives as antiviral agents against HCV. Bioorganic & Medicinal Chemistry Letters 27 (4) , pp. 936-940. 10.1016/j.bmcl.2016.12.087

Hamdy, Rania, Ziedan, Noha, Ali, Samina, Bordoni, Cinzia, El-Sadek, Mohamed, Lashin, Elsaid, Brancale, Andrea, Jones, Arwyn Tomos and Westwell, Andrew D 2017. Synthesis and evaluation of 5-(1H-indol-3-yl)-N-aryl-1,3,4-oxadiazol-2-amines as Bcl-2 inhibitory anticancer agents. Bioorganic & Medicinal Chemistry Letters 27 (4) , pp. 1037-1040. 10.1016/j.bmcl.2016.12.061

Ziedan, Noha I, Hamdy, Rania, Cavaliere, Alessandra, Kourti, Malamati, Prencipe, Filippo, Brancale, Andrea, Jones, Arwyn T and Westwell, Andrew 2017. Virtual screening, SAR and discovery of 5-(indole-3-yl)-2-[(2-nitrophenyl)amino] [1,3,4]-oxadiazole as a novel Bcl-2 inhibitor. Chemical Biology and Drug Design 10.1111/cbdd.12936

Bassetto, Marcella, Leyssen, Pieter, Neyts, Johan, Yerukhimovich, Mark M., Frick, David N., Courtney-Smith, Matthew and Brancale, Andrea 2017. In silico identification, design and synthesis of novel piperazine-based antiviral agents targeting the hepatitis C virus helicase. European Journal of Medicinal Chemistry 125 , pp. 1115-1131. 10.1016/j.ejmech.2016.10.043

Romagnoli, Romeo, Baraldi, Pier Giovanni, Prencipe, Filippo, Oliva, Paola, Baraldi, Stefania, Salvador, Maria Kimatrai, Lopez-Cara, Luisa Carlota, Brancale, Andrea, Ferla, Salvatore, Hamel, Ernest, Ronca, Roberto, Bortolozzi, Roberta, Mariotto, Elena, Porcù, Elena, Basso, Giuseppe and Viola, Giampietro 2017. Synthesis and Biological Evaluation of 2-Methyl-4,5-Disubstituted Oxazoles as a Novel Class of Highly Potent Antitubulin Agents. Scientific Reports 7 , 46356. 10.1038/srep46356

Kandil, Sahar, Balzarini, Jan, Rat, Stephanie, Brancale, Andrea, Westwell, Andrew D. and McGuigan, Christopher 2016. ProTides of BVdU as potential anticancer agents upon efficient intracellular delivery of their activated metabolites. Biorganic and Medicinal Chemistry Letters 26 (23) , pp. 5618-5623. 10.1016/j.bmcl.2016.10.077

Bassetto, Marcella, Massarotti, Alberto, Coluccia, Antonio and Brancale, Andrea 2016. Structural biology in antiviral drug discovery. Current Opinion in Pharmacology 30 , pp. 116-130. 10.1016/j.coph.2016.08.014

Papale, Alessandro, Morella, Ilaria, Indrigo, Marzia Tina, Bernardi, Rick Eugene, Marrone, Livia, Marchisella, Francesca, Brancale, Andrea, Spanagel, Rainer, Brambilla, Riccardo and Fasano, Stefania 2016. Impairment of cocaine-mediated behaviours in mice by clinically relevant Ras-ERK inhibitors. eLife 5 , e17111. 10.7554/eLife.17111

Bassetto, Marcella, Ferla, Salvatore, Pertusati, Fabrizio, Kandil, Sahar, Westwell, Andrew, Brancale, Andrea and McGuigan, Christopher 2016. Design and synthesis of novel bicalutamide and enzalutamide derivatives as antiproliferative agents for the treatment of prostate cancer. European Journal of Medicinal Chemistry 118 , pp. 230-243. 10.1016/j.ejmech.2016.04.052

Ferla, Salvatore, Bassetto, Marcella, Pertusati, Fabrizio, Kandil, Sahar, Westwell, Andrew D., Brancale, Andrea and McGuigan, Christopher 2016. Rational design and synthesis of novel anti-prostate cancer agents bearing a 3,5-bis-trifluoromethylphenyl moiety. Bioorganic and Medicinal Chemistry Letters 26 (15) , pp. 3636-3640. 10.1016/j.bmcl.2016.06.001

Bassetto, Marcella, Leyssen, Pieter, Neyts, Johan, Yerukhimovich, Mark M., Frick, David N. and Brancale, Andrea 2016. Computer-aided identification, synthesis and evaluation of substituted thienopyrimidines as novel inhibitors of HCV replication. European Journal of Medicinal Chemistry 10.1016/j.ejmech.2016.07.035

Romagnoli, Romeo, Baraldi, Pier Giovanni, Prencipe, Filippo, Oliva, Paola, Baraldi, Stefania, Tabrizi, Mojgan Aghazadeh, Lopez-Cara, Luisa Carlota, Ferla, Salvatore, Brancale, Andrea, Hamel, Ernest, Ronca, Roberto, Bortolozzi, Roberta, Mariotto, Elena, Basso, Giuseppe and Viola, Giampietro 2016. Design and synthesis of potent in vitro and in vivo anticancer agents based on 1-(3′,4′,5′-Trimethoxyphenyl)- 2-Aryl-1H-Imidazole. Scientific Reports 6 , p. 26602. 10.1038/srep26602

Fedora, Grande, Ines, Barone, Francesca, Aiello, Brancale, Andrea, Cancellieri, Michela, Mariateresa, Badolato, Francesca, Chemi, Cinzia, Giordano, Valentina, Vircillo, Daniela, Bonofiglio, Antonio, Garofalo, Sebastiano, Ando and Stefania, Catalano 2016. Identification of novel 2-(1H-Indol-1-yl)benzohydrazides CXCR4 ligands impairing breast cancer growth and motility. Future Medicinal Chemistry 8 (2) , pp. 93-106. 10.4155/fmc.15.176

Grande, Fedora, Parisi, Ortensia I., Mordocco, Roberta A., Rocca, Carmine, Puoci, Francesco, Scrivano, Luca, Quintieri, Anna M., Cantafio, Patrizia, Ferla, Salvatore, Brancale, Andrea, Saturnino, Carmela, Cerra, Maria C., Sinicropi, Maria S. and Angelone, Tommaso 2016. Quercetin derivatives as novel antihypertensive agents: Synthesis and physiological characterization. European Journal of Pharmaceutical Sciences 82 , pp. 161-170. 10.1016/j.ejps.2015.11.021

Coluccia, Antonio, Regina, Giuseppe, Barilone, Nathalie, Lisa, María-Natalia, Brancale, Andrea, André-Leroux, Gwenaëlle, Alzari, Pedro and Silvestri, Romano 2016. Structure-based virtual screening to get new scaffold inhibitors of the Ser/Thr protein kinase PknB from mycobacterium tuberculosis. Letters in Drug Design & Discovery 13 (10) , pp. 1012-1018. 10.2174/1570180813666160801162204

Cancellieri, Michela, Bassetto, Marcella, Widjaja, Ivy, van Kuppeveld, Frank, de Haan, Cornelis A.M. and Brancale, Andrea 2015. In silico structure-based design and synthesis of novel anti-RSV compounds. Antiviral Research 122 , pp. 46-50. 10.1016/j.antiviral.2015.08.003

Menzies, Georgina, Reed, Simon H., Brancale, Andrea and Lewis, Paul D. 2015. Base damage, local sequence context and TP53 mutation hotspots: a molecular dynamics study of benzo[a]pyrene induced DNA distortion and mutability. Nucleic Acids Research 43 (19) , pp. 9133-9146. 10.1093/nar/gkv910

La Regina, Giuseppe, Bai, Ruoli, Coluccia, Antonio, Famiglini, Valeria, Pelliccia, Sveva, Passacantilli, Sara, Mazzoccoli, Carmela, Ruggieri, Vitalba, Verrico, Annalisa, Miele, Andrea, Monti, Ludovica, Nalli, Marianna, Alfonsi, Romina, Di Marcotullio, Lucia, Gulino, Alberto, Ricci, Biancamaria, Soriani, Alessandra, Santoni, Angela, Caraglia, Michele, Porto, Stefania, Da Pozzo, Eleonora, Martini, Claudia, Brancale, Andrea, Marinelli, Luciana, Novellino, Ettore, Vultaggio, Stefania, Varasi, Mario, Mercurio, Ciro, Bigogno, Chiara, Dondio, Giulio, Hamel, Ernest, Lavia, Patrizia and Silvestri, Romano 2015. New indole tubulin assembly inhibitors cause stable arrest of mitotic progression, enhanced stimulation of natural killer cell cytotoxic activity, and repression of hedgehog-dependent cancer. Journal of Medicinal Chemistry 58 (15) , pp. 5789-5807. 10.1021/acs.jmedchem.5b00310

Romagnoli, Romeo, Baraldi, Pier Giovanni, Salvador, Maria Kimatrai, Prencipe, Filippo, Lopez-Cara, Carlota, Schiaffino Ortega, Santiago, Brancale, Andrea, Hamel, Ernest, Castagliuolo, Ignazio, Mitola, Stefania, Ronca, Roberto, Bortolozzi, Roberta, Porcù, Elena, Basso, Giuseppe and Viola, Giampietro 2015. Design, synthesis, in vitro, and in vivo anticancer and antiangiogenic activity of novel 3-arylaminobenzofuran derivatives targeting the colchicine site on tubulin. Journal of Medicinal Chemistry 58 (7) , pp. 3209-3222. 10.1021/acs.jmedchem.5b00155

Elseginy, Samia A., Lazaro, Glorianne, Nawwar, Galal A. M., Amin, Kamilia M., Hiscox, Stephen E. and Brancale, Andrea 2015. Computer-aided identification of novel anticancer compounds with a possible dual HER1/HER2 inhibition mechanism. Bioorganic and Medicinal Chemistry Letters 25 (4) , pp. 758-762. 10.1016/j.bmcl.2014.12.095

Reddington, Samuel C., Baldwin, Amy J., Thompson, Rebecca, Brancale, Andrea, Tippmann, Eric M. and Jones, D. Dafydd 2015. Directed evolution of GFP with non-natural amino acids identifies residues for augmenting and photoswitching fluorescence. Chemical Science 6 (2) , pp. 1159-1166. 10.1039/C4SC02827A

Ferla, Salvatore, Gomaa, Mohamed S., Brancale, Andrea, Zhu, Jinge, Ochalek, Justin T., DeLuca, Hector F. and Simons, Claire 2014. Novel styryl-indoles as small molecule inhibitors of 25-hydroxyvitamin D-24-hydroxylase (CYP24A1): Synthesis and biological evaluation. European Journal of Medicinal Chemistry 87 , pp. 39-51. 10.1016/j.ejmech.2014.09.035

Famiglini, Valeria, La Regina, Giuseppe, Coluccia, Antonio, Pelliccia, Sveva, Brancale, Andrea, Maga, Giovanni, Crespan, Emmanuele, Badia, Roger, Riveira-Muñoz, Eva, Esté, José A., Ferretti, Rosella, Cirilli, Roberto, Zamperini, Claudio, Botta, Maurizio, Schols, Dominique, Limongelli, Vittorio, Agostino, Bruno, Novellino, Ettore and Silvestri, Romano 2014. Indolylarylsulfones carrying a heterocyclic tail as very potent and broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitors. Journal of Medicinal Chemistry 57 (23) , pp. 9945-9957. 10.1021/jm5011622

Anthopoulos, Athanasios, Pasqualetto, Gaia, Grimstead, Ian and Brancale, Andrea 2014. Haptic-driven, interactive drug design: implementing a GPU-based approach to evaluate the induced fit effect. Faraday Discussions 169 , pp. 323-342. 10.1039/C3FD00139C

Elseginy, Samia Ali, Massarotti, Alberto, Nawwar, Galal A. M., Amin, Kamilia M. and Brancale, Andrea 2014. Small molecule inhibitors of West Nile virus. Antiviral Chemistry & Chemotherapy 23 , pp. 179-187. 10.3851/IMP2581

Scaturro, P., Trist, I. M. L., Paul, D., Kumar, A., Acosta, E. G., Byrd, C. M., Jordan, R., Brancale, Andrea and Bartenschlager, R. 2014. Characterization of the mode of action of a potent dengue virus capsid inhibitor. Journal of Virology 88 (19) , pp. 11540-11555. 10.1128/JVI.01745-14

Ferla, Salvatore, Aboraia, Ahmed S., Brancale, Andrea, Pepper, Christopher J., Zhu, Jinge, Ochalek, Justin T., DeLuca, Hector F. and Simons, Claire 2014. Small-molecule inhibitors of 25-Hydroxyvitamin D-24-Hydroxylase (CYP24A1): synthesis and biological evaluation. Journal of Medicinal Chemistry 57 (18) , pp. 7702-7715. 10.1021/jm5009314

Romagnoli, Romeo, Baraldi, Pier Giovanni, Lopez-Cara, Carlota, Salvador, Maria Kimatrai, Preti, Delia, Tabrizi, Mojgan Aghazadeh, Balzarini, Jan, Nussbaumer, Peter, Bassetto, Marcella, Brancale, Andrea, Fu, Xian-Hua, Yang-Gao, , Li, Jun, Zhang, Su-Zhan, Hamel, Ernest, Bortolozzi, Roberta, Basso, Giuseppe and Viola, Giampietro 2014. Design, synthesis and biological evaluation of 3,5-disubstituted 2-amino thiophene derivatives as a novel class of antitumor agents. Bioorganic & Medicinal Chemistry 22 (18) , pp. 5097-5109. 10.1016/j.bmc.2013.12.030

Wang, Xiaozhao, Liu, Li, Huang, Longchuan, Herbst-Robinson, Katie, Cornec, Anne-Sophie, James, Michael J., Sugiyama, Shimpei, Bassetto, Marcella, Brancale, Andrea, Trojanowski, John Q., Lee, Virginia M.-Y., Smith, Amos B., Brunden, Kurt R. and Ballatore, Carlo 2014. Potent, long-acting cyclopentane-1,3-Dione Thromboxane (A2)-receptor antagonists. ACS Medicinal Chemistry Letters 5 (9) , pp. 1015-1020. 10.1021/ml5002085

Romagnoli, Romeo, Baraldi, Pier Giovanni, Salvador, Maria Kimatrai, Prencipe, Filippo, Bertolasi, Valerio, Cancellieri, Michela, Brancale, Andrea, Hamel, Ernest, Castagliuolo, Ignazio, Consolaro, Francesca, Porcù, Elena, Basso, Giuseppe and Viola, Giampietro 2014. Synthesis, antimitotic and antivascular activity of 1-(3′,4′,5′-trimethoxybenzoyl)-3-arylamino-5-amino-1,2,4-triazoles. Journal of Medicinal Chemistry 57 (15) , pp. 6795-6808. 10.1021/jm5008193

La Regina, Giuseppe, Bai, Ruoli, Coluccia, Antonio, Famiglini, Valeria, Pelliccia, Sveva, Passacantilli, Sara, Mazzoccoli, Carmela, Ruggieri, Vitalba, Sisinni, Lorenza, Bolognesi, Alessio, Rensen, Whilelmina Maria, Miele, Andrea, Nalli, Marianna, Alfonsi, Romina, Di Marcotullio, Lucia, Gulino, Alberto, Brancale, Andrea, Novellino, Ettore, Dondio, Giulio, Vultaggio, Stefania, Varasi, Mario, Mercurio, Ciro, Hamel, Ernest, Lavia, Patrizia and Silvestri, Romano 2014. New pyrrole derivatives with potent tubulin polymerization inhibiting activity as anticancer agents including hedgehog-dependent cancer. Journal of Medicinal Chemistry 57 (15) , pp. 6531-6552. 10.1021/jm500561a

Famiglini, Valeria, La Regina, Giuseppe, Coluccia, Antonio, Pelliccia, Sveva, Brancale, Andrea, Maga, Giovanni, Crespan, Emmanuele, Badia, Roger, Clotet, Bonaventura, Esté, José A., Cirilli, Roberto, Novellino, Ettore and Silvestri, Romano 2014. New indolylarylsulfones as highly potent and broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitors. European Journal of Medicinal Chemistry 80 , pp. 101-111. 10.1016/j.ejmech.2014.04.027

La Pietra, Valeria, La Regina, Giuseppe, Coluccia, Antonio, Famiglini, Valeria, Pelliccia, Sveva, Plotkin, Batya, Eldar-Finkelman, Hagit, Brancale, Andrea, Ballatore, Carlo, Crowe, Alex, Brunden, Kurt R., Marinelli, Luciana, Novellino, Ettore and Silvestri, Romano 2013. Design, synthesis, and biological evaluation of 1-Phenylpyrazolo[3,4-e]pyrrolo[3,4-g]indolizine-4,6(1H,5H)-diones as new glycogen synthase kinase-3β inhibitors. Journal of Medicinal Chemistry 56 (24) , pp. 10066-10078. 10.1021/jm401466v

Famiglini, Valeria, Coluccia, Antonio, Brancale, Andrea, Pelliccia, Sveva, La Regina, Giuseppe and Silvestri, Romano 2013. Arylsulfone-based HIV-1 non-nucleoside reverse transcriptase inhibitors. Future Medicinal Chemistry 5 (18) , pp. 2141-2156. 10.4155/fmc.13.174

Kothayer, Hend, Elshanawani, Abdalla A., Abu Kull, Mansour E., El-Sabbagh, Osama I., Shekhar, Malathy P. V., Brancale, Andrea, Jones, Arwyn Tomos and Westwell, Andrew D. 2013. Design, synthesis and in vitro anticancer evaluation of 4,6-diamino-1,3,5-triazine-2-carbohydrazides and -carboxamides. Biorganic and Medicinal Chemistry Letters 23 (24) , pp. 6886-6889. 10.1016/j.bmcl.2013.09.087

Romagnoli, Romeo, Baraldi, Pier Giovanni, Lopez-Cara, Carlota, Preti, Delia, Aghazadeh Tabrizi, Mojgan, Balzarini, Jan, Bassetto, Marcella, Brancale, Andrea, Fu, Xian-Hua, Gao, Yang, Li, Jun, Zhang, Su-Zhan, Hamel, Ernest, Bortolozzi, Roberta, Basso, Giuseppe and Viola, Giampietro 2013. Concise synthesis and biological evaluation of 2-aroyl-5-amino benzo[b]thiophene derivatives as a novel class of potent antimitotic agents. Journal of Medicinal Chemistry 56 (22) , pp. 9296-9309. 10.1021/jm4013938

Anthopoulos, Athanasios, Grimstead, Ian John and Brancale, Andrea 2013. GPU-accelerated molecular mechanics computations. Journal of Computational Chemistry 34 (26) , pp. 2249-2260. 10.1002/jcc.23384

Mead, Richard J., Higginbottom, Adrian, Allen, Scott P., Kirby, Janine, Bennett, Ellen, Barber, Siân C., Heath, Paul R., Coluccia, Antonio, Patel, Neelam, Gardner, Iain, Brancale, Andrea, Grierson, Andrew J. and Shaw, Pamela J. 2013. S[+] Apomorphine is a CNS penetrating activator of the Nrf2-ARE pathway with activity in mouse and patient fibroblast models of amyotrophic lateral sclerosis. Free Radical Biology and Medicine 61 , pp. 438-452. 10.1016/j.freeradbiomed.2013.04.018

Bourdin, Claire, McGuigan, Christopher, Brancale, Andrea, Chamberlain, Stanley, Vernachio, John, Hutchins, Jeff, Gorovits, Elena, Kolykhalov, Alexander, Muhammad, Jerry, Patti, Joseph, Henson, Geoffrey, Bleiman, Blair, Bryant, K. Dawn, Ganguly, Babita, Hunley, Damound, Obikhod, Aleksandr, Walters, C. Robin, Wang, Jin, Ramamurty, Changalvala V. S., Battina, Srinivas K. and Rao, C. Srinivas 2013. Synthesis and evaluation against hepatitis C virus of 7-deaza analogues of 2 '-C-methyl-6-O-methyl guanosine nucleoside and L-Alanine ester phosphoramidates. Biorganic and Medicinal Chemistry Letters 23 (7) , pp. 2260-2264.

Bourdin, Claire, McGuigan, Christopher, Brancale, Andrea, Chamberlain, Stanley, Vernachio, John, Hutchins, Jeff, Gorovits, Elena, Kolykhalov, Alexander, Muhammad, Jerry, Patti, Joseph, Henson, Geoffrey, Bleiman, Blair, Bryant, K. Dawn, Ganguly, Babita, Hunley, Damound, Obikhod, Aleksandr, Walters, C. Robin, Wang, Jin, Ramamurty, Changalvala V. S., Battina, Srinivas K. and Rao, C.Srivinas 2013. Synthesis and evaluation against Hepatitis C virus of 7-deaza analogues of 2'-C-methyl-6-O-methyl guanosine nucleoside and L-Alanine ester phosphoramidates. Biorganic & Medicinal Chemistry Letters 23 (7) , pp. 2260-2264. 10.1016/j.bmcl.2012.12.004

Bassetto, Marcella, De Burghgraeve, Tine, Delang, Leen, Massarotti, Alberto, Coluccia, Antonio, Zonta, Nicola, Gatti, Valerio, Colombano, Giampiero, Sorba, Giovanni, Silvestri, Romano, Tron, Gian Cesare, Neyts, Johan, Leyssen, Pieter and Brancale, Andrea 2013. Computer-aided identification, design and synthesis of a novel series of compounds with selective antiviral activity against chikungunya virus. Antiviral Research 98 (1) , pp. 12-18. 10.1016/j.antiviral.2013.01.002

Hamdy, Rania, Ziedan, Noha, Ali, Samia, El-Sadek, Mohamed, Lashin, Elsaid, Brancale, Andrea, Jones, Arwyn Tomos and Westwell, Andrew D. 2013. Synthesis and evaluation of 3-(benzylthio)-5-(1H-indol-3-yl)-1,2,4-triazol-4-amines as Bcl-2 inhibitory anticancer agents. Biorganic and Medicinal Chemistry Letters 23 (8) , pp. 2391-2394. 10.1016/j.bmcl.2013.02.029

Meneghesso, Silvia, Vanderlinden, Evelien, Brancale, Andrea, Balzarini, Jan, Naesens, Lieve and McGuigan, Christopher 2013. Synthesis and biological evaluation of purine 2'-Fluoro-2'-deoxyriboside ProTides as anti-influenza virus agents. ChemMedChem 8 (3) , pp. 415-425. 10.1002/cmdc.201200562

Romagnoli, Romeo, Baraldi, Pier Giovanni, Kimatrai Salvador, Maria, Preti, Delia, Aghazadeh Tabrizi, Mojgan, Bassetto, Marcella, Brancale, Andrea, Hamel, Ernest, Castagliuolo, Ignazio, Bortolozzi, Roberta, Basso, Giuseppe and Viola, Giampietro 2013. Synthesis and biological evaluation of 2-(alkoxycarbonyl)-3-anilinobenzo[b]thiophenes and thieno[2,3-b]pyridines as new potent anticancer agents. Journal of Medicinal Chemistry 56 (6) , pp. 2606-2618. 10.1021/jm400043d

La Regina, Giuseppe, Bai, Ruoli, Rensen, Whilelmina Maria, Di Cesare, Erica, Coluccia, Antonio, Piscitelli, Francesco, Famiglini, Valeria, Reggio, Alessia, Nalli, Marianna, Pelliccia, Sveva, Da Pozzo, Eleonora, Costa, Barbara, Granata, Ilaria, Porta, Amalia, Maresca, Bruno, Soriani, Alessandra, Iannitto, Maria Luisa, Santoni, Angela, Li, Junjie, Miranda Cona, Marlein, Chen, Feng, Ni, Yicheng, Brancale, Andrea, Dondio, Giulio, Vultaggio, Stefania, Varasi, Mario, Mercurio, Ciro, Martini, Claudia, Hamel, Ernest, Lavia, Patrizia, Novellino, Ettore and Silvestri, Romano 2013. Toward highly potent cancer agents by modulating the c-2 group of the arylthioindole class of tubulin polymerization inhibitors. Journal of Medicinal Chemistry 56 (1) , pp. 123-149. 10.1021/jm3013097

Romagnoli, Romeo, Baraldi, Pier Giovanni, Salvador, Maria Kimatrai, Camacho, M. Encarnacion, Preti, Delia, Tabrizi, Mojgan Aghazadeh, Bassetto, Marcella, Brancale, Andrea, Hamel, Ernest, Bortolozzi, Roberta, Basso, Giuseppe and Viola, Giampietro 2012. Synthesis and biological evaluation of 2-substituted-4-(3′,4′,5′-trimethoxyphenyl)-5-aryl thiazoles as anticancer agents. Bioorganic & Medicinal Chemistry 20 (24) , pp. 7083-7094. 10.1016/j.bmc.2012.10.001

Gomaa, Mohamed S., Lim, Andrew S. T., Lau, Sze C. W., Watts, Ann-Marie, Illingworth, N. A., Bridgens, C. E., Veal, G. J., Redfern, C. P. F., Brancale, Andrea, Armstrong, J. L. and Simons, Claire 2012. Synthesis and CYP26A1 inhibitory activity of novel methyl 3-[4-(arylamino)phenyl]-3-(azole)-2,2-dimethylpropanoates. Bioorganic & Medicinal Chemistry 20 (20) , pp. 6080-6088. 10.1016/j.bmc.2012.08.044

Gomaa, Mohamed S., Bridgens, C. E., Illingworth, N. A., Veal, G. J., Redfern, C. P. F., Brancale, Andrea, Armstrong, J. L. and Simons, Claire 2012. Novel retinoic acid 4-hydroxylase (CYP26) inhibitors based on a 3-(1H-imidazol- and triazol-1-yl)-2,2-dimethyl-3-(4-(phenylamino)phenyl)propyl scaffold. Bioorganic & Medicinal Chemistry 20 (14) , pp. 4201-4207. 10.1016/j.bmc.2012.05.076

La Regina, G., Coluccia, Antonio, Brancale, Andrea, Piscitelli, F., Famiglini, V., Cosconati, S., Maga, G., Samuele, A., Gonzalez, E., Clotet, B., Schols, D., Este, J. A., Novellino, E. and Silvestri, R. 2012. New Nitrogen Containing Substituents at the Indole-2-carboxamide Yield High Potent and Broad Spectrum Indolylarylsulfone HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors. Journal of Medicinal Chemistry 55 (14) , pp. 6634-6638. 10.1021/jm300477h

Soukupova, J., Brancale, Andrea, Westwell, Andrew D. and Clarkson, Richard W. E. 2012. Inhibitors of Bcl-3 as a novel therapeutic strategy for HER2+ breast cancer. European Journal of Cancer 48 (5) , S225-S225.

Ricci, Antonio, Anthopoulos, Athanasios, Massarotti, A., Grimstead, Ian John and Brancale, Andrea 2012. Haptic-driven applications to molecular modeling: state-of-the-art and perspectives. Future Medicinal Chemistry 4 (10) , pp. 1219-1228. 10.4155/fmc.12.60

Romagnoli, R., Baraldi, P. G., Salvador, M. K., Preti, D., Tabrizi, M. A., Brancale, Andrea, Fu, X. H., Li, J., Zhang, S. Z., Hamel, E., Bortolozzi, R., Porcu, E., Basso, G. and Viola, G. 2012. Discovery and Optimization of a Series of 2-Aryl-4-Amino-5-(3′,4′,5′-trimethoxybenzoyl)Thiazoles as Novel Anticancer Agents. Journal of Medicinal Chemistry 55 (11) , pp. 5433-5445. 10.1021/jm300388h

Vassel, Nasrin, Cox, Charles D., Naseem, Riffat, Morse, Valerie, Evans, R. T., Power, Ryan L., Brancale, Andrea, Wann, Kenneth Taylor and Campbell, Anthony Keith 2012. Enzymatic activity of albumin shown by coelenterazine chemiluminescence. Luminescence 27 (3) , pp. 234-241. 10.1002/bio.2357

Ricci, Antonio and Brancale, Andrea 2012. Density functional theory calculation of cyclic carboxylic phosphorus mixed anhydrides as possible intermediates in biochemical reactions: Implications for the Pro-Tide approach. Journal of Computational Chemistry 33 (10) , pp. 1029-1037. 10.1002/jcc.22934

Massarotti, Alberto, Coluccia, Antonio, Silvestri, Romano, Sorba, Giovanni and Brancale, Andrea 2012. The Tubulin Colchicine Domain: a molecular modeling perspective. ChemMedChem 7 (1) , pp. 33-42. 10.1002/cmdc.201100361

Romagnoli, Romeo, Baraldi, Pier Giovanni, Salvador, Maria Kimatrai, Preti, Delia, Aghazadeh Tabrizi, Mojgan, Brancale, Andrea, Fu, Xian-Hua, Li, Jun, Zhang, Su-Zhan, Hamel, Ernest, Bortolozzi, Roberta, Basso, Giuseppe and Viola, Giampietro 2012. Synthesis and Evaluation of 1,5-Disubstituted Tetrazoles as Rigid Analogues of Combretastatin A-4 with Potent Antiproliferative and Antitumor Activity. Journal of Medicinal Chemistry 55 (1) , pp. 475-488. 10.1021/jm2013979

Mart, Robert J., Wysoczanski, Piotr, Kneissl, Sabine, Ricci, Antonio, Brancale, Andrea and Allemann, Rudolf Konrad 2012. Design of photocontrolled RNA-binding peptidomimetics. ChemBioChem 13 (4) , pp. 515-519. 10.1002/cbic.201100800

Massarotti, Alberto, Coluccia, Antonio, Sorba, Giovanni, Silvestri, Romano and Brancale, Andrea 2012. De novo computer-aided design of novel antiviral agents. Drug Discovery Today: Technologies 9 (3) , e213-e218. 10.1016/j.ddtec.2011.11.008

Gamble, Michael David, Kunze, Georg, Brancale, Andrea, Wilson, Keith S. and Jones, Darran Dafydd 2012. The role of substrate specificity and metal binding in defining the activity and structure of an intracellular subtilisin. FEBS Open Bio 2 , pp. 209-215. 10.1016/j.fob.2012.07.001

Romagnoli, Romeo, Baraldi, Pier Giovanni, Lopez Cara, Carlota, Kimatrai Salvador, Maria, Bortolozzi, Roberta, Basso, Giuseppe, Viola, Giampietro, Balzarini, Jan, Brancale, Andrea, Fu, Xian-Hua, Li, Jun, Zhang, Su-Zhan and Hamel, Ernest 2011. One-pot synthesis and biological evaluation of 2-pyrrolidinyl-4-amino-5-(3′,4′,5′-trimethoxybenzoyl)thiazole: A unique, highly active antimicrotubule agent. European Journal of Medicinal Chemistry 46 (12) , pp. 6015-6024. 10.1016/j.ejmech.2011.10.013

La Regina, Giuseppe, Bai, Ruoli, Rensen, Willeke, Coluccia, Antonio, Piscitelli, Francesco, Gatti, Valerio, Bolognesi, Alessio, Lavecchia, Antonio, Granata, Ilaria, Porta, Amalia, Maresca, Bruno, Soriani, Alessandra, Iannitto, Maria Luisa, Mariani, Marisa, Santoni, Angela, Brancale, Andrea, Ferlini, Cristiano, Dondio, Giulio, Varasi, Mario, Mercurio, Ciro, Hamel, Ernest, Lavia, Patrizia, Novellino, Ettore and Silvestri, Romano 2011. Design and Synthesis of 2-Heterocyclyl-3-arylthio-1H-indoles as Potent Tubulin Polymerization and Cell Growth Inhibitors with Improved Metabolic Stability. Journal of Medicinal Chemistry 54 (24) , pp. 8394-8406. 10.1021/jm2012886

Gomaa, Mohamed Sayed, Bridgens, Caroline E., Veal, Gareth J., Redfern, Christoper P.F., Brancale, Andrea, Armstrong, Jane L. and Simons, Claire 2011. Synthesis and biological evaluation of 3-(1H-Imidazol- and Triazol-1-yl)-2,2-Dimethyl-3-[4-(Naphthalen-2-ylamino)phenyl]propyl derivatives as small molecule inhibitors of Retinoic Acid 4-Hydroxylase (CYP26). Journal of Medicinal Chemistry 54 (19) , pp. 6803-6811. 10.1021/jm200695m

Coluccia, Antonio, Sabbadin, Davide and Brancale, Andrea 2011. Molecular modelling studies on Arylthioindoles as potent inhibitors of tubulin polymerization. European Journal of Medicinal Chemistry 46 (8) , pp. 3519-3525. 10.1016/j.ejmech.2011.05.020

van Kuppeveld, Frank, Snijder, Eric, Gorbalenya, Alexander, Canard, Bruno, Bartenschlager, Ralf, Neyts, Johan, Brancale, Andrea and McGuigan, Christopher 2011. European Training Network on (+)RNA Virus Replication and Antiviral Drug Development [Abstract]. Antiviral Research 90 (2) , A64. 10.1016/j.antiviral.2011.03.129

Gomaa, Mohamed Sayed, Bridgens, Caroline E., Aboraia, Ahmed, Veal, Gareth J., Redfern, Christopher P. F., Brancale, Andrea, Armstrong, Jane L. and Simons, Claire 2011. Small molecule inhibitors of retinoic acid 4-hydroxylase (CYP26): Synthesis and biological evaluation of imidazole methyl 3-(4-(aryl-2-ylamino)phenyl)propanoates. Journal of Medicinal Chemistry 54 (8) , pp. 2778-2791. 10.1021/jm101583w

Braun, Sebastian, Humphreys, Christine, Fraser, Elizabeth, Brancale, Andrea, Bochtler, Matthias and Dale, Trevor Clive 2011. Amyloid-Associated Nucleic Acid Hybridisation. PLoS ONE 6 (5) , e19125. 10.1371/journal.pone.0019125

Antonczak, Alicja K., Simova, Zuzana, Yonemoto, Isaac T., Bochtler, Matthias, Piasecka, Anna, Czapińska, Honorata, Brancale, Andrea and Tippmann, Eric Michael 2011. Importance of single molecular determinants in the fidelity of expanded genetic codes. Proceedings of the National Academy of Sciences of the United States of America 108 (4) , pp. 1320-1325. 10.1073/pnas.1012276108

Romagnoli, Romeo, Baraldi, Pier Giovanni, Brancale, Andrea, Ricci, Antonio, Hamel, Ernest, Bortolozzi, Roberta, Basso, Giuseppe and Viola, Giampietro 2011. Convergent Synthesis and Biological Evaluation of 2-Amino-4-(3′,4′,5′-trimethoxyphenyl)-5-aryl Thiazoles as Microtubule Targeting Agents. Journal of Medicinal Chemistry 54 (14) , pp. 5144-5153. 10.1021/jm200392p

La Regina, Giuseppe, Coluccia, Antonio, Brancale, Andrea, Piscitelli, Francesco, Gatti, Valerio, Maga, Giovanni, Samuele, Alberta, Pannecouque, Christophe, Schols, Dominique, Balzarini, Jan, Novellino, Ettore and Silvestri, Romano 2011. Indolylarylsulfones as HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors: New Cyclic Substituents at Indole-2-carboxamide. Journal of Medicinal Chemistry 54 (6) , pp. 1587-1598. 10.1021/jm101614j

Pala, Nicolino, Dallocchio, Roberto, Dessì, Alessandro, Brancale, Andrea, Carta, Fabrizio, Ihm, Simone, Maresca, Alfonso, Sechi, Mario and Supuran, Claudiu T. 2011. Virtual screening-driven identification of human carbonic anhydrase inhibitors incorporating an original, new pharmacophore. Biorganic and Medicinal Chemistry Letters 21 (8) , pp. 2515-2520. 10.1016/j.bmcl.2011.02.059

Romagnoli, Romeo, Baraldi, Pier Giovanni, Cruz-Lopez, Olga, Tolomeo, Manlio, Di Cristina, Antonietta, Pipitone, Rosaria Maria, Grimaudo, Stefania, Balzarini, Jan, Brancale, Andrea and Hamel, Ernest 2011. Synthesis of novel antimitotic agents based on 2-amino-3-aroyl-5-(hetero)arylethynyl thiophene derivatives. Biorganic and Medicinal Chemistry Letters 21 (9) , pp. 2746-2751. 10.1016/j.bmcl.2010.11.083

Siam, Afraa, Brancale, Andrea and Simons, Claire 2011. Comparative modeling of 25-hydroxycholesterol-7α-hydroxylase (CYP7B1): ligand binding and analysis of hereditary spastic paraplegia type 5 CYP7B1 mutations. Journal of Molecular Modeling 18 (2) , pp. 441-453. 10.1007/s00894-011-1084-6

Romagnoli, Romeo, Baraldi, Pier Giovanni, Lopez-Cara, Carlota, Cruz-Lopez, Olga, Carrion, Maria Dora, Kimatrai Salvador, Maria, Bermejo, Jaime, Estévez, Sara, Estévez, Francisco, Balzarini, Jan, Brancale, Andrea, Ricci, Antonio, Chen, Longchuan, Kim, Jae Gwan and Hamel, Ernest 2011. Synthesis and Antitumor Molecular Mechanism of Agents Based on Amino 2-(3′,4′,5′-Trimethoxybenzoyl)benzo[b]furan: Inhibition of Tubulin and Induction of Apoptosis. Chemmedchem 6 (10) , pp. 1841-1853. 10.1002/cmdc.201100279

Knight, James Christopher, Hallett, Andrew Jon, Brancale, Andrea, Paisey, Stephen James, Clarkson, Richard W. E. and Edwards, Peter Gerald 2011. Evaluation of a fluorescent derivative of AMD3100 and its interaction with the CXCR4 chemokine receptor. ChemBioChem 12 (17) , pp. 2692-2698. 10.1002/cbic.201100441

Aboraia, Ahmed S., Makowski, Bart, Bahja, Alba, Prosser, David, Brancale, Andrea, Jones, Glenville and Simons, Claire 2010. Synthesis and CYP24A1 inhibitory activity of (E)-2-(2-substituted benzylidene)- and 2-(2-substituted benzyl)-6-methoxy-tetralones. European Journal of Medicinal Chemistry 45 (10) , pp. 4427-4434. 10.1016/j.ejmech.2010.07.001

McGuigan, Christopher, Madela, Karolina, Aljarah, Mohamed, Gilles, Arnaud, Brancale, Andrea, Zonta, Nicola, Chamberlain, Stanley, Vernachio, John, Hutchins, Jeff and Hall, Andrea 2010. Design, synthesis and evaluation of a novel double pro-drug: INX-08189. A new clinical candidate for hepatitis C virus. Biorganic and Medicinal Chemistry Letters 20 (16) , pp. 4850-4854. 10.1016/j.bmcl.2010.06.094

Aboraia, Ahmed S., Yee, Sook Wah, Gomaa, Mohamed Sayed, Shah, Nikhil, Robotham, Anna C., Makowski, Bart, Prosser, David, Brancale, Andrea, Jones, Glenville and Simons, Claire 2010. Synthesis and CYP24A1 inhibitory activity of N-(2-(1H-imidazol-1-yl)-2-phenylethyl)arylamides. Bioorganic & Medicinal Chemistry 18 (14) , pp. 4939-4946. 10.1016/j.bmc.2010.06.011

Brahemi, Ghali, Kona, Fathima R., Fiasella, Annal, Buac, Daniela, Soukupova, Jitka, Brancale, Andrea, Burger, Angelika M. and Westwell, Andrew D. 2010. Exploring the structural requirements for inhibition of the ubiquitin E3 ligase breast cancer associated protein 2 (BCA2) as a treatment for breast cancer. Journal of Medicinal Chemistry 53 (7) , pp. 2757-2765. 10.1021/jm901757t

Brahemi, Ghali, Burger, A. M., Westwell, Andrew and Brancale, Andrea 2010. Homology Modelling of Human E1 Ubiquitin Activating Enzyme. Letters in Drug Design & Discovery 7 (1) , pp. 57-62. 10.2174/157018010789869316

Derudas, Marco, Brancale, Andrea, Naesens, L., Neyts, J., Balzarini, J. and McGuigan, Christopher 2010. Application of the phosphoramidate ProTide approach to the antiviral drug ribavirin. Bioorganic & Medicinal Chemistry 18 (7) , pp. 2748-2755. 10.1016/j.bmc.2010.02.015

Zonta, Nicola, Coluccia, A. and Brancale, Andrea 2010. Advanced in silico approaches in antiviral research. Antiviral Chemistry and Chemotherapy 20 (4) , pp. 147-151. 10.3851/IMP1500

Derudas, Marco, Quintiliani, Maurizio, Brancale, Andrea, Andrei, Graciela, Snoeck, Robert, Balzarini, Jan and McGuigan, Christopher 2010. Evaluation of novel phosphoramidate ProTides of the 2′-fluoro derivatives of a potent anti-varicella zoster virus bicyclic nucleoside analogue. Antiviral Chemistry and Chemotherapy 21 (1) , pp. 15-31. 10.3851/IMP1661

Romagnoli, Romeo, Baraldi, Pier Giovanni, Cruz-Lopez, Olga, Lopez Cara, Carlota, Carrion, Maria Dora, Brancale, Andrea, Hamel, Ernest, Chen, Longchuan, Bortolozzi, Roberta, Basso, Giuseppe and Viola, Giampietro 2010. Synthesis and Antitumor Activity of 1,5-Disubstituted 1,2,4-Triazoles as Cis-Restricted Combretastatin Analogues. Journal of Medicinal Chemistry 53 (10) , pp. 4248-4258. 10.1021/jm100245q

Romagnoli, Romeo, Baraldi, Pier Giovanni, Carrion, Maria Dora, Cruz-Lopez, Olga, Tolomeo, Manlio, Grimaudo, Stefania, Di Cristina, Antonietta, Pipitone, Maria Rosaria, Balzarini, Jan and Brancale, Andrea 2010. Substituted 2-(3′,4′,5′-trimethoxybenzoyl)-benzo[b]thiophene derivatives as potent tubulin polymerization inhibitors. Bioorganic & Medicinal Chemistry 18 (14) , pp. 5114-5122. 10.1016/j.bmc.2010.05.068

La Regina, Giuseppe, Sarkar, Taradas, Bai, Ruoli., Edler, Michael C., Saletti, Roberto, Coluccia, Antonio, Piscitelli, Francesco, Minelli, Lara, Gatti, Valerio, Mazzoccoli, Carmela., Palermo, Vanessa, Mazzoni, Cristina, Falcone, Claudio, Scovassi, Anna Ivana, Giansanti, Vincenzo, Campiglia, Pietro, Porta, Amalia, Maresca, Bruno, Hamel, Ernest, Brancale, Andrea, Novellino, Ettore and Silvestri, Romano 2009. New arylthioindoles and related bioisosteres at the sulfur bridging group. 4. Synthesis, tubulin polymerization, cell growth inhibition, and molecular modeling studies. Journal of Medicinal Chemistry 52 (23) , pp. 7512-7527. 10.1021/jm900016t

Derudas, Marco, Carta, Davide, Brancale, Andrea, Vanpouille, Christophe, Lisco, Andrea, Margolis, Leonid, Balzarini, Jan and McGuigan, Christopher 2009. The application of phosphoramidate ProTide technology to acyclovir confers anti-HIV inhibition. Journal of Medicinal Chemistry 52 (17) , pp. 5520-5530. 10.1021/jm9007856

Kandil, Sahar, Biondaro, Sonia, Vlachakis, Dimitrios, Cummins, Anna-Claire, Coluccia, Antonio, Berry, Colin, Leyssen, Pieter, Neyts, Johan and Brancale, Andrea 2009. Discovery of a novel HCV helicase inhibitor by a de novo drug design approach. Bioorganic & Medicinal Chemistry Letters 19 (11) , pp. 2935-2937. 10.1016/j.bmcl.2009.04.074

Derudas, Marco, McGuigan, Christopher, Brancale, Andrea, Margolis, L. and Balzarini, J. 2009. The Application of Phosphoramidate Protide Technology to Acyclovir confers Novel Anti-HIV Inhibition. Antiviral Research 82 (2) , A57. 10.1016/j.antiviral.2009.02.134

Derudas, Marco, Quintiliani, Maurizio, McGuigan, Christopher, Brancale, Andrea, Henson, G. and Balzarini, J. 2009. Design, Synthesis, and Biological Evaluation of Novel Fluoro Derivatives of BCNA. Antiviral Research 82 (2) , A57. 10.1016/j.antiviral.2009.02.135

Khedr, Mohammed Abdou and Brancale, Andrea 2009. West Nile Virus Helicase: Homology Modeling and Docking Studies [Abstract]. Antiviral Research 82 (2) , A60. 10.1016/j.antiviral.2009.02.142

Zonta, Nicola, Grimstead, Ian John, Avis, Nicholas John and Brancale, Andrea 2009. Accessible haptic technology for drug design applications. Journal of Molecular Modeling 15 (2) , pp. 193-196. 10.1007/s00894-008-0387-8

Pautus, S., Aboraia, A. S., Bassett, C. E., Brancale, Andrea, Coogan, Michael Peter and Simons, Clare 2009. Design and synthesis of substituted imidazole and triazole N-phenylbenzo[d]oxazolamine inhibitors of retinoic acid metabolizing enzyme CYP26. Journal of Enzyme Inhibition and Medicinal Chemistry 24 (2) , pp. 487-498. 10.1080/14756360802218334

Piscitelli, F., Coluccia, A., Brancale, Andrea, La Regina, G., Sansone, A., Giordano, C., Balzarini, J., Maga, G., Zanoli, S., Samuele, A., Cirilli, R., La Torre, F., Lavecchia, A., Novellino, E. and Silvestri, R. 2009. Indolylarylsulfones Bearing Natural and Unnatural Amino Acids. Discovery of Potent Inhibitors of HIV-1 Non-Nucleoside Wild Type and Resistant Mutant Strains Reverse Transcriptase and Coxsackie B4 Virus. Journal of Medicinal Chemistry 52 (7) , pp. 1922-1934. 10.1021/jm801470b

Romagnoli, R., Baraldi, P. G., Carrion, M. D., Cara, C. L., Cruz-Lopez, O., Tolomeo, M., Grimaudo, S., Di Cristina, A., Pipitone, M. R., Balzarini, J., Zonta, Nicola, Brancale, Andrea and Hamel, E. 2009. Design, synthesis and structure-activity relationship of 2-(3 ',4 ',5 '-trimethoxybenzoyl)-benzo b furan derivatives as a novel class of inhibitors of tubulin polymerization. Bioorganic & Medicinal Chemistry 17 (19) , pp. 6862-6871. 10.1016/j.bmc.2009.08.027

Romagnoli, R., Baraldi, P. G., Carrion, M. D., Cruz-Lopez, O., Cara, C. L., Basso, G., Viola, G., Khedr, Mohammed Abdou, Balzarini, J., Mahboobi, S., Sellmer, A., Brancale, Andrea and Hamel, E. 2009. 2-Arylamino-4-Amino-5-Aroylthiazoles. "One-Pot" Synthesis and Biological Evaluation of a New Class of Inhibitors of Tubulin Polymerization. Journal of Medicinal Chemistry 52 (17) , pp. 5551-5555. 10.1021/jm9001692

Zonta, Nicola and Brancale, Andrea 2009. Virtual Reality Applications in Antiviral Drug Design [Abstract]. Antiviral Research 82 (2) , A74. 10.1016/j.antiviral.2009.02.196

Gomaa, Mohamed Sayed, Armstrong, Jane L., Bobillon, Beatrice, Veal, Gareth J., Brancale, Andrea, Redfern, Christopher P.F. and Simons, Claire 2008. Novel azolyl-(phenylmethyl)]aryl/heteroarylamines: Potent CYP26 inhibitors and enhancers of all-trans retinoic acid activity in neuroblastoma cells. Bioorganic & Medicinal Chemistry 16 (17) , pp. 8301-8313. 10.1016/j.bmc.2007.06.048

Brancale, Andrea, Vlachakiis, Dimitros, Kandil, Sahar, Biondaro, Sonia, Berry, Colin and Neyts, Johan 2008. Discovery of a novel HCV helicase inhibitor by a de novo drug design approach. Antiviral Research 78 (2) , A22. 10.1016/j.antiviral.2008.01.030

Derudas, Marco, McGuigan, Christopher, Brancale, Andrea, Neyts, J. and Balzarini, J. 2008. Application of the phosphoramidate protide approach to the antiviral drug ribavirin. Antiviral Research 78 (2) , 55. 10.1016/j.antiviral.2008.01.115

Brahemi, Ghali, Fiasella, A., Brancale, Andrea, Westwell, Andrew and Burger, A. 2008. Design and synthesis of BCA2 inhibitors. EJC Supplements 6 (12) , p. 44.

Derudas, Marco, McGuigan, Christopher, Brancale, Andrea, Bugert, Joachim Jakob, Andrei, G., Snoeck, R. and Balzarini, J. 2008. Design, synthesis and biological evaluation of novel acyclovir ProTides. Antiviral Research 78 (2) , A55-A56. 10.1016/j.antiviral.2008.01.116

Romagnoli, R., Baraldi, P. G., Carrion, M. D., Cara, C. L., Cruz-Lopez, O., Preti, D., Tolomeo, M., Grimaudo, S., Di Cristina, A., Zonta, Nicola, Balzarini, J., Brancale, Andrea, Sarkar, T. and Hamel, E. 2008. Design, synthesis, and biological evaluation of thiophene analogues of chalcones. Bioorganic & Medicinal Chemistry 16 (10) , pp. 5367-5376. 10.1016/j.bmc.2008.04.026

Romagnoli, R., Baraldi, P. G., Carrion, M. D., Cruz-Lopez, O., Cara, C. L., Tolomeo, M., Grimaudo, S., Di Cristina, A., Pipitone, M. R., Balzarini, J., Kandil, Sahar, Brancale, Andrea, Sarkar, T. and Hamel, E. 2008. Synthesis and biological evaluation of 2-amino-3-(3 ',4 ',5 '-trimethoxybenzoyl)-6-substituted-4,5,6,7-tetrahydrothieno 2,3-c pyridi ne derivatives as antimitotic agents and inhibitors of tubulin polymerization. Bioorganic & Medicinal Chemistry Letters 18 (18) , pp. 5041-5045. 10.1016/j.bmcl.2008.08.006

Romagnoli, R., Baraldi, P. G., Sarkar, T., Carrion, M. D., Cara, C. L., Cruz-Lopez, O., Preti, D., Tabrizi, M. A., Tolomeo, M., Grimaudo, S., Di Cristina, A., Zonta, Nicola, Balzarini, J., Brancale, Andrea, Hsieh, H. P. and Hamel, E. 2008. Synthesis and biological evaluation of 1-methyl-2-(3 ',4 ',5 '-trimethoxybenzoyl)-3-aminoindoles as a new class of antimitotic agents and tubulin inhibitors. Journal of Medicinal Chemistry 51 (5) , pp. 1464-1468. 10.1021/jm7011547

Romagnoli, R., Baraldi, P. G., Sarkar, T., Carrion, M. D., Cruz-Lopez, O., Cara, C. L., Tolomeo, M., Grimaudo, S., Di Cristina, A., Pipitone, M. R., Balzarini, J., Gambari, R., Ilaria, L., Saletti, R., Brancale, Andrea and Hamel, E. 2008. Synthesis and biological evaluation of 2-(3 ',4 ',5 '-trimethoxybenzoyl)-3-N, N-dimethylamino benzo b furan derivatives as inhibitors of tubulin polymerization. Bioorganic & Medicinal Chemistry 16 (18) , pp. 8419-8426. 10.1016/j.bmc.2008.08.029

Brancale, Andrea, Vlachaki, Chrisanthy and Vlachakis, Dimitrios 2008. Molecular modelling study of the 3D structure of the bovine viral diarrhea virus (BVDV) helicase. In silico Biology 8 (5) , pp. 461-469.

Mehellou, Youcef, McGuigan, Christopher, Brancale, Andrea and Balzarini, J. 2007. Design, synthesis, and anti-HIV activity of 2',3'-didehydro-2',3'-dideoxyuridine (d4U), 2',3'-dideoxyuridine (ddU) phosphoramidate "ProTide' derivatives. Biorganic and Medicinal Chemistry Letters 17 (13) , pp. 3666-3669. 10.1016/j.bmcl.2007.04.043

Smith, Mathew W., Smith, J., Harris, C., Brancale, Andrea, Allender, Christopher John and Gumbleton, Mark 2007. Phage display identification of functional binding peptides against 4-acetamidophenol (Paracetamol): An exemplified approach to target low molecular weight organic molecules. Biochemical and Biophysical Research Communications 358 (1) , pp. 285-291. 10.1016/j.bbrc.2007.04.122

Congiatu, C., McGuigan, Christopher and Brancale, Andrea 2007. HINT as putative phosphoramidase responsible of pro-tides activation: Molecular modelling studies [Abstract]. Antiviral Research 74 (3) , A71. 10.1016/j.antiviral.2007.01.115

Gomaa, Mohamed Sayed, Simons, Claire and Brancale, Andrea 2007. Homology model of 1α,25-dihydroxyvitamin D3 24-hydroxylase cytochrome P450 24A1 (CYP24A1): Active site architecture and ligand binding. The Journal of Steroid Biochemistry and Molecular Biology 104 (1-2) , pp. 53-60. 10.1016/j.jsbmb.2006.09.041

Brancale, Andrea and Silvestri, R. 2007. Indole, a core nucleus for potent inhibitors of tubulin polymerization. Medicinal Research Reviews 27 (2) , pp. 209-238. 10.1002/med.20080

Congiatu, C., Brancale, Andrea and McGuigan, Christopher 2007. Molecular modelling studies on the binding of some protides to the putative human phosphoramidase Hint1. Nucleosides, Nucleotides & Nucleic Acids 26 (8 & 9) , pp. 1121-1124. 10.1080/15257770701521656

La Regina, G., Edler, M. C., Brancale, Andrea, Kandil, Sahar, Coluccia, A., Piscitelli, F., Hamel, E., De Martino, G., Matesanz, R., Diaz, J. F., Scovassi, A. I., Prosperi, E., Lavecchia, A., Novellino, E., Artico, M. and Silvestri, R. 2007. Arylthioindole inhibitors of tubulin polymerization. 3. Biological evaluation, structure-activity relationships and molecular modeling studies. Journal of Medicinal Chemistry 50 (12) , pp. 2865-2874. 10.1021/jm061479u

Mantzourani, Efthymia D., Platts, James Alexis, Brancale, Andrea, Mavromoustakos, Thomas M. and Tselios, Theodore V. 2007. Molecular dynamics at the receptor level of immunodominant myelin basic protein epitope 87-99 implicated in multiple sclerosis and its antagonists altered peptide ligands: Triggering of immune response. Journal of Molecular Graphics and Modelling 26 (2) , pp. 471-481. 10.1016/j.jmgm.2007.02.004

Romagnoli, R., Baraldi, P. G., Carrion, M. D., Cara, C. L., Preti, D., Fruttarolo, F., Pavani, M. G., Tabrizi, M. A., Tolomeo, M., Grimaudo, S., Di Cristina, A., Balzarini, J., Hadfield, J. A., Brancale, Andrea and Hamel, E. 2007. Synthesis and biological evaluation of 2-and 3-aminobenzo b thiophene derivatives as antimitotic agents and inhibitors of tubulin polymerization. Journal of Medicinal Chemistry 50 (9) , pp. 2273-2277. 10.1021/jm070050f

Brancale, Andrea, Grdadolnik, SG, Mantzourani, ED and Tselios, TV 2006. Comparison of proposed putative active conformations of myelin basic protein epitope 87-99 linear altered peptide ligands by spectroscopic and modelling studies: The role of positions 91 and 96 in T-cell receptor activation. Journal of Medicinal Chemistry 49 (23) , pp. 6683-6691. 10.1021/jm060040z

Mantzourani, Efthymia D., Tselios, T. V., Grdadolnik, S. Golič, Brancale, Andrea, Platts, James Alexis, Matsoukas, J. M. and Mavromoustakos, T. M. 2006. A putative bioactive conformation for the altered peptide ligand of myelin basic protein and inhibitor of experimental autoimmune encephalomyelitis [Arg91, Ala96] MBP87–99. Journal of Molecular Graphics and Modelling 25 (1) , pp. 17-29. 10.1016/j.jmgm.2005.09.010

Brancale, Andrea, Landowski, Christopher P., Lorenzi, Philip L., Song, Xuequin, Townsend, Leroy B., Drach, John C. and Amidon, Gordon L. 2006. N-methylpurine DNA glycosylase and 8-oxoguanine DNA glycosylase metabolize the antiviral nucleoside 2-bromo-5,6-dichloro-1-(β-D-ribofuranosyl)benzimidazole. Drug Metabolism and Disposition 34 (6) , pp. 1070-1077. 10.1124/dmd.105.009209

Brancale, Andrea, De Martino, Gabriella, Edler, Michael C., La Regina, Guiseppe, Coluccio, Antonio, Barbera, Maria Chiara, Barrow, Denise, Nicholson, Robert I., Chiosis, Gabriela, Hamel, Ernst, Artico, Marino and Silvestri, Romano 2006. New arylthioindoles, potent inhibitors of tubulin polymerization. 2. Structure activity relationships and molecular modeling studies. Journal of Medicinal Chemistry 49 (3) , pp. 947-954. 10.1021/jm050809s

Gomaa, Mohamed Sayed, Yee, Sook Wah, Milbourne, Ceri Elizabeth, Barbera, Maria Chiara, Simons, Claire and Brancale, Andrea 2006. Homology Model of Human Retinoic Acid Metabolising Enzyme Cytochrome P450 26A1 (CYP26A1): Active Site Architecture and Ligand Binding. Journal of Enzyme Inhibition and Medicinal Chemistry 21 (4) , pp. 361-369. 10.1080/14756360600742014

Congiatu, Costantino, Brancale, Andrea, Mason, Malcolm David, Jiang, Wen Guo and McGuigan, Christopher 2006. Novel potential anticancer naphthyl phosphoramidates of BVdU: Separation of diastereoisomers and assignment of the absolute cConfiguration of the phosphorus center. Journal of Medicinal Chemistry 49 (2) , pp. 452-455. 10.1021/jm0509896

De Clercq, Erik, Brancale, Andrea, Hodge, Anthony Vere and Field, Hugh 2006. Antiviral Chemistry & Chemotherapy's current antiviral agents FactFile 2006 (1st edition):the RNA viruses with DNA intermediates (retroviruses). Antiviral chemistry & chemotherapy 17 (3) , pp. 137-166.

Mantzourani, Efthymia D., Tselios, Theodore V., Grdadolnik, Simona Golic, Platts, James Alexis, Brancale, Andrea, Deraos, George N., Matsoukas, John M. and Mavromoustakos, Thomas M. 2006. Comparison of Proposed Putative Active Conformations of Myelin Basic Protein Epitope 87−99 Linear Altered Peptide Ligands by Spectroscopic and Modelling Studies:  The Role of Positions 91 and 96 in T-Cell Receptor Activation. Journal of Medicinal Chemistry 49 (23) , pp. 6683-6691. 10.1021/jm060040z

Yee, Sook Wah, Jarno, Laetitia, Gomaa, Mohamed Sayed, Elford, Carole, Ooi, Liling, Coogan, Michael Peter, McClelland, Richard Andrew, Nicholson, Robert Ian, Evans, Bronwen Alice James, Brancale, Andrea and Simons, Claire 2005. Novel tetralone-derived retinoic acid metabolism blocking agents: synthesis and in vitro evaluation with liver microsomal and MCF-7 CYP26A1 cell assays. Journal of Medicinal Chemistry 48 (23) , pp. 7123-7131. 10.1021/jm0501681

De Martino, Gabriella, La Regina, Giuseppe, Coluccia, Antonio, Edler, Michael C., Barbera, Maria Chiara, Brancale, Andrea, Wilcox, Elizabeth, Hamel, Ernest, Artico, Marino and Silvestri, Romano 2004. Arylthioindoles, potent inhibitors of tubulin polymerization. Journal of Medicinal Chemistry 47 (25) , pp. 6120-6123. 10.1021/jm049360d

Sienaert, R., Naesens, L., Brancale, Andrea, Carangio, A., Andrei, G., Snoeck, R., Van Kuilenburg, A., De Clercq, E., McGuigan, Christopher and Balzarini, J. 2003. Metabolic and Pharmacological Characteristics of the Bicyclic Nucleoside Analogues (BCNAs) as Highly Selective Inhibitors of Varicella-Zoster Virus (VZV). Nucleosides, Nucleotides & Nucleic Acids 22 (5-8) , pp. 995-997. 10.1081/NCN-120022721

McGuigan, Christopher, Brancale, Andrea, Andrei, Graciela, Snoeck, Robert, De Clercq, Erik and Balzarini, Jan 2003. Novel bicyclic furanopyrimidines with dual anti-VZV and -HCMV activity. Bioorganic & Medicinal Chemistry Letters 13 (24) , pp. 4511-4513. 10.1016/j.bmcl.2003.08.028

Sienaert, R., Naesens, L., Brancale, Andrea, De Clercq, E., McGuigan, Christopher and Balzarini, J. 2002. Specific Recognition of the Bicyclic Pyrimidine Nucleoside Analogs, a New Class of Highly Potent and Selective Inhibitors of Varicella-Zoster Virus (VZV), by the VZV-Encoded Thymidine Kinase. Molecular Pharmacology 61 (2) , pp. 249-254. 10.1124/mol.61.2.249

McGuigan, Christopher, Brancale, Andrea, Barucki, H., Srinivasan, S, Jones, G., Pathirana, Ranjith N., Carangio, A., Blewett, S., Luoni, G., Bidet, O., Jukes, A., Jarvis, C., Andrei, G., Snoeck, R., De Clercq, E. and Balzarini, J. 2001. Furano pyrimidines as novel potent and selective anti-VZV agents. Antiviral chemistry & chemotherapy 12 (2) , pp. 77-89.

Brancale, Andrea, McGuigan, Christopher, Algain, Berthe, Savy, Pascal, Benhida, Rachid, Fourrey, Jean-Louis, Andrei, Graciela, Snoeck, Robert, De Clercq, Erik and Balzarini, Jan 2001. Bicyclic anti-VZV nucleosides: Thieno analogues retain full antiviral activity. Biorganic and Medicinal Chemistry Letters 11 (18) , pp. 2507-2510. 10.1016/S0960-894X(01)00471-1

Brancale, Andrea, McGuigan, Christopher, Andrei, G., Snoeck, R., De Clercq, E. and Balzarini, J. 2000. Bicyclic nucleoside inhibitors of Varicella-Zoster Virus (VZV): the effect of a terminal halogen substitution in the side-chain. Bioorganic & Medicinal Chemistry Letters 10 (11) , pp. 1215-1217. 10.1016/S0960-894X(00)00193-1

Brancale, Andrea, Srinivasan, Subashini, McGuigan, Christopher, Andrei, Graciela, Snoeck, Robert, De Clercq, Erik and Balzarini, Jan 2000. Synthesis and anti-varicella-zoster virus activity of some novel bicyclic nucleoside inhibitors: effect of enhanced aqueous solubility. Antiviral Chemistry & Chemotherapy 11 (6) , pp. 383-393.

McGuigan, Christopher, Brancale, Andrea, Barucki, Hubert, Srinivasan, Subashini, Jones, Garry, Pathirana, Ranjith, Blewett, Sally, Alvarez, Raquel, Yarnold, Christopher J., Carangio, Antonella, Velazquez, Sonsoles, Andrei, Graciela, Snoeck, Robert, De Clercq, Erik and Balzarini, Jan 2000. Fluorescent bicyclic furo pyrimidine deoxynucleoside analogs as potent and selective inhibitors of VZV and potential future drugs for the treatment of chickenpox and shingles. Drugs of the Future 25 (11) , pp. 1151-1161.

McGuigan, Christopher, Yarnold, Christopher J., Jones, Garry, Velázquez, Sonsoles, Barucki, Hubert, Brancale, Andrea, Andrei, Graciela, Snoeck, Robert, De Clercq, Erik and Balzarini, Jan 1999. Potent and selective inhibition of varicella-zoster virus (VZV) by nucleoside analogues with an unusual bicyclic base. Journal of Medicinal Chemistry 42 (22) , pp. 4479-4484. 10.1021/jm990346o