Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors-Reference-Cited by-同舟云学术

Evaluating QM/MM Free Energy Surfaces for Ranking Cysteine Protease Covalent Inhibitors

Published:2020-01-16 Issue:2 Volume:60 Page:880-889
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

da Costa Clauber H. S.¹,Bonatto Vinícius²,dos Santos Alberto M.¹,Lameira Jerônimo¹²^ORCID,Leitão Andrei²,Montanari Carlos A.²^ORCID

Affiliation:

1. Laboratório de Planejamento e Desenvolvimento de Fármacos, Universidade Federal do Pará, Rua Augusto Correa S/N, 66075-110 Belém, PA, Brazil

2. Grupo de Quı́mica Medicinal do Instituto de Quı́mica de São Carlos da, Universidade de São Paulo, NEQUIMED/IQSC/USP, 13566-590 São Carlos, SP, 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.9b00847

Reference61 articles.

1. Cysteine Proteases and Their Inhibitors

2. Emerging Roles of Cysteine Cathepsins in Disease and their Potential as Drug Targets

3. Cathepsin L, target in cancer treatment?

4. Cathepsin B, H and L inhibitors as cell proliferating agents: design, synthesis, computational and pharmacological studies of some novel 2-(2-naphthoyl)-6,6-dimethyl-3-aryl-2,3,6,7-tetrahydrobenzofuran-4(5H)-ones

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