Experimental and Computational Study of Aryl-thiosemicarbazones Inhibiting Cruzain Reveals Reversible Inhibition and a Stepwise Mechanism-Reference-Cited by-同舟云学术

Experimental and Computational Study of Aryl-thiosemicarbazones Inhibiting Cruzain Reveals Reversible Inhibition and a Stepwise Mechanism

Published:2023-02-20 Issue:5 Volume:63 Page:1506-1520
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Martins Luan Carvalho¹^ORCID,de Oliveira Renata Barbosa²,Lameira Jerônimo³^ORCID,Ferreira Rafaela Salgado¹^ORCID

Affiliation:

1. Molecular Modeling and Drug Design Laboratory, Institute for Biological Sciences, Federal University of Minas Gerais, 6627, Antônio Carlos Avenue, 31270-901 Belo Horizonte, MG, Brazil

2. Pharmaceutical Products Department, Faculty of Pharmacy, Federal University of Minas Gerais, 6627, Antônio Carlos Avenue, 31270-901 Belo Horizonte, MG, Brazil

3. Institute of Biological Sciences, Federal University of Pará, 66075-110 Belém, Pará, Brazil

Funder

Funda??o de Amparo ? Pesquisa do Estado de Minas Gerais

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01566

Reference94 articles.

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2. Global Burden of Disease Collaborative Network. Global Burden of Disease Study 2019 (GBD 2019) Reference Life Table; Institute for Health Metrics and Evaluation (IHME), 2021.

3. Clinical and epidemiological aspects of Chagas disease

4. Randomized Trial of Benznidazole for Chronic Chagas’ Cardiomyopathy

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