Water Bridges Play a Key Role in Affinity and Selectivity for Malarial Protease Falcipain-2-Reference-Cited by-同舟云学术

Water Bridges Play a Key Role in Affinity and Selectivity for Malarial Protease Falcipain-2

Published:2020-07-07 Issue:11 Volume:60 Page:5499-5512
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Hernández González Jorge Enrique¹^ORCID,Hernández Alvarez Lilian¹²,Leite Vitor B. P.¹^ORCID,Pascutti Pedro Geraldo³

Affiliation:

1. Departamento de Fı́sica, Instituto de Biociências, Letras e Ciências Exatas, Universidade Estadual Paulista Júlio de Mesquita Filho, Rua Cristóvão Colombo, 2265, Jardim Nazareth, São José do Rio Preto, São Paulo CEP 15054-000, Brazil

2. Skaggs School of Pharmacy and Pharmaceutical Sciences, Center for Discovery and Innovation in Parasitic Diseases, University of California San Diego, La Jolla, California 92093, United States

3. Laboratório de Modelagem e Dinâmica Molecular, Instituto de Biofı́sica Carlos Chagas Filho, Universidade Federal do Rio de Janeiro, Ave. Carlos Chagas Filho, 373, CCS-Bloco D sala 30, Cidade Universitária Ilha de Fundão Rio de Janeiro, CEP 21941-902, Brazil

Funder

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo

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.0c00294

Reference53 articles.

1. Targeting the active sites of malarial proteases for antimalarial drug discovery: approaches, progress and challenges