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2020 – today
- 2023
[j13]Manuel A. Llanos
, Lucas N. Alberca, María D. Ruiz, María L. Sbaraglini, Cristian Miranda, Agustina Pino-Martinez, Laura Fraccaroli, Carolina Carrillo, Catalina D. Alba Soto, Luciana Gavernet, Alan Talevi:
A combined ligand and target-based virtual screening strategy to repurpose drugs as putrescine uptake inhibitors with trypanocidal activity. J. Comput. Aided Mol. Des. 37(2): 75-90 (2023)- [j12]Manuel A. Llanos, Nicolas Enrique, Vega Esteban-López, Sebastian Scioli-Montoto, David Sánchez-Benito, María E. Ruiz, Verónica Milesi, Dolores E. López, Alan Talevi, Pedro Martín, Luciana Gavernet:
A Combined Ligand- and Structure-Based Virtual Screening To Identify Novel NaV1.2 Blockers: In Vitro Patch Clamp Validation and In Vivo Anticonvulsant Activity. J. Chem. Inf. Model. 63(22): 7083-7096 (2023) - 2022
- [j11]Jorge Enrique Hernández González, Lucas N. Alberca, Yordanka Masforrol González, Osvaldo Reyes Acosta, Alan Talevi, Emir Salas-Sarduy:
Tetracycline Derivatives Inhibit Plasmodial Cysteine Protease Falcipain-2 through Binding to a Distal Allosteric Site. J. Chem. Inf. Model. 62(1): 159-175 (2022) - [j10]Denis N. Prada Gori, Manuel A. Llanos, Carolina L. Bellera, Alan Talevi, Lucas N. Alberca:
iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small Molecules. J. Chem. Inf. Model. 62(12): 2987-2998 (2022) - [j9]Manuel A. Llanos, Nicolas Enrique, María L. Sbaraglini, Federico M. Garofalo, Alan Talevi, Luciana Gavernet, Pedro Martín:
Structure-Based Virtual Screening Identifies Novobiocin, Montelukast, and Cinnarizine as TRPV1 Modulators with Anticonvulsant Activity In Vivo. J. Chem. Inf. Model. 62(12): 3008-3022 (2022) - [j8]Melisa E. Gantner, Denis N. Prada Gori, Manuel A. Llanos, Alan Talevi, Andrea Angeli, Daniela Vullo, Claudiu T. Supuran, Luciana Gavernet:
Identification of New Carbonic Anhydrase VII Inhibitors by Structure-Based Virtual Screening. J. Chem. Inf. Model. 62(19): 4760-4770 (2022) - 2021
- [j7]Manuel A. Llanos, Melisa E. Gantner, Santiago Rodriguez, Lucas N. Alberca, Carolina L. Bellera, Alan Talevi, Luciana Gavernet:
Strengths and Weaknesses of Docking Simulations in the SARS-CoV-2 Era: the Main Protease (Mpro) Case Study. J. Chem. Inf. Model. 61(8): 3758-3770 (2021) - 2020
- [j6]Julián A. Bélgamo, Lucas N. Alberca, Jorge L. Pórfido, Franco N. Caram Romero, Santiago Rodriguez, Alan Talevi, Betina Córsico, Gisela R. Franchini:
Application of target repositioning and in silico screening to exploit fatty acid binding proteins (FABPs) from Echinococcus multilocularis as possible drug targets. J. Comput. Aided Mol. Des. 34(12): 1275-1288 (2020)
2010 – 2019
- 2017
- [j5]Melisa E. Gantner, Roxana N. Peroni, Juan F. Morales, María L. Villalba, María E. Ruiz, Alan Talevi:
Development and Validation of a Computational Model Ensemble for the Early Detection of BCRP/ABCG2 Substrates during the Drug Design Stage. J. Chem. Inf. Model. 57(8): 1868-1880 (2017) - 2016
- [j4]Lucas N. Alberca, María L. Sbaraglini, Darío E. Balcazar, Laura Fraccaroli, Carolina Carrillo, Andrea Medeiros, Diego Benitez, Marcelo A. Comini, Alan Talevi:
Discovery of novel polyamine analogs with anti-protozoal activity by computer guided drug repositioning. J. Comput. Aided Mol. Des. 30(4): 305-321 (2016) - 2013
- [j3]Carolina L. Bellera, Darío E. Balcazar, Lucas N. Alberca, Carlos A. Labriola, Alan Talevi, Carolina Carrillo:
Application of Computer-Aided Drug Repurposing in the Search of New Cruzipain Inhibitors: Discovery of Amiodarone and Bromocriptine Inhibitory Effects. J. Chem. Inf. Model. 53(9): 2402-2408 (2013) - 2012
- [j2]Mauricio E. Di Ianni, Andrea V. Enrique, Pablo H. Palestro, Luciana Gavernet, Alan Talevi, Luis Bruno Blanch:
Several New Diverse Anticonvulsant Agents Discovered in a Virtual Screening Campaign Aimed at Novel Antiepileptic Drugs to Treat Refractory Epilepsy. J. Chem. Inf. Model. 52(12): 3325-3330 (2012)
2000 – 2009
- 2007
- [j1]Alan Talevi, Carolina L. Bellera, Eduardo A. Castro, Luis Bruno Blanch:
A successful virtual screening application: prediction of anticonvulsant activity in MES test of widely used pharmaceutical and food preservatives methylparaben and propylparaben. J. Comput. Aided Mol. Des. 21(9): 527-538 (2007)
Coauthor Index
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