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Application of Computer-Aided Drug Repurposing in the Search of New Cruzipain Inhibitors: Discovery of Amiodarone and Bromocriptine Inhibitory Effects.

, , , , , and . J. Chem. Inf. Model., 53 (9): 2402-2408 (2013)

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A combined ligand and target-based virtual screening strategy to repurpose drugs as putrescine uptake inhibitors with trypanocidal activity., , , , , , , , , and 1 other author(s). J. Comput. Aided Mol. Des., 37 (2): 75-90 (February 2023)Application of Computer-Aided Drug Repurposing in the Search of New Cruzipain Inhibitors: Discovery of Amiodarone and Bromocriptine Inhibitory Effects., , , , , and . J. Chem. Inf. Model., 53 (9): 2402-2408 (2013)Structure-Based Virtual Screening Identifies Novobiocin, Montelukast, and Cinnarizine as TRPV1 Modulators with Anticonvulsant Activity In Vivo., , , , , , and . J. Chem. Inf. Model., 62 (12): 3008-3022 (2022)Identification of New Carbonic Anhydrase VII Inhibitors by Structure-Based Virtual Screening., , , , , , , and . J. Chem. Inf. Model., 62 (19): 4760-4770 (2022)Several New Diverse Anticonvulsant Agents Discovered in a Virtual Screening Campaign Aimed at Novel Antiepileptic Drugs to Treat Refractory Epilepsy., , , , , and . J. Chem. Inf. Model., 52 (12): 3325-3330 (2012)Discovery of novel polyamine analogs with anti-protozoal activity by computer guided drug repositioning., , , , , , , , and . J. Comput. Aided Mol. Des., 30 (4): 305-321 (2016)Strengths and Weaknesses of Docking Simulations in the SARS-CoV-2 Era: the Main Protease (Mpro) Case Study., , , , , , and . J. Chem. Inf. Model., 61 (8): 3758-3770 (2021)Development and Validation of a Computational Model Ensemble for the Early Detection of BCRP/ABCG2 Substrates during the Drug Design Stage., , , , , and . J. Chem. Inf. Model., 57 (8): 1868-1880 (August 2017)A successful virtual screening application: prediction of anticonvulsant activity in MES test of widely used pharmaceutical and food preservatives methylparaben and propylparaben., , , and . J. Comput. Aided Mol. Des., 21 (9): 527-538 (2007)Application of target repositioning and in silico screening to exploit fatty acid binding proteins (FABPs) from Echinococcus multilocularis as possible drug targets., , , , , , , and . J. Comput. Aided Mol. Des., 34 (12): 1275-1288 (2020)