Computational discovery of sulfonamide derivatives as potential inhibitors of the cruzain enzyme from <i>T. cruzi</i> by molecular docking, molecular dynamics and MM/GBSA approaches-Reference-Cited by-同舟云学术

Computational discovery of sulfonamide derivatives as potential inhibitors of the cruzain enzyme from T. cruzi by molecular docking, molecular dynamics and MM/GBSA approaches

Published:2022-09-13 Issue:18 Volume:48 Page:1678-1687
ISSN:0892-7022
Container-title:Molecular Simulation
language:en
Short-container-title:Molecular Simulation

Author:

da Costa Ana Paula Lima¹,Silva José Rogério A.²^ORCID,de Molfetta Fábio Alberto¹^ORCID

Affiliation:

1. Laboratório de Modelagem Molecular, Instituto de Ciências Exatas e Naturais, Universidade Federal do Pará, Belém, Brazil

2. Laboratório de Planejamento e Desenvolvimento de Fármacos, Instituto de Ciências Exatas e Naturais, Universidade Federal do Pará, Belém, Brazil

Funder

CNPQ

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modeling and Simulation,Information Systems,General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/08927022.2022.2120625

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3. Structure-Based and Molecular Modeling Studies for the Discovery of Cyclic Imides as Reversible Cruzain Inhibitors With Potent Anti-Trypanosoma cruzi Activity

4. Impact of the social context on the prognosis of Chagas disease patients: Multilevel analysis of a Brazilian cohort

5. 4-Chlorophenylthioacetone-derived thiosemicarbazones as potent antitrypanosomal drug candidates: Investigations on the mode of action

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