Computational Investigations on Reaction Mechanisms of the Covalent Inhibitors Ponatinib and Analogs Targeting the Extracellular Signal-Regulated Kinases.

Tian, Yafeng; Zhang, Mi; Heng, Panpan; Hou, Hua; Wang, Baoshan

Tian, Yafeng; Zhang, Mi; Heng, Panpan; Hou, Hua; Wang, Baoshan.

Afiliação

Tian Y; College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072, China.
Zhang M; College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072, China.
Heng P; College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072, China.
Hou H; College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072, China.
Wang B; College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072, China.

Int J Mol Sci ; 24(20)2023 Oct 16.

Article em En | MEDLINE | ID: mdl-37894903

Assuntos

MAP Quinases Reguladas por Sinal Extracelular; Neoplasias; Humanos; Simulação de Dinâmica Molecular; Imidazóis/farmacologia; Termodinâmica

Palavras-chave

ERK regulation; covalent inhibitors; molecular dynamics simulations; quantum chemical calculation; thiol addition reaction

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: MAP Quinases Reguladas por Sinal Extracelular / Neoplasias Limite: Humans Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google