A covalent G-site inhibitor for glutathione S-transferase Pi (GSTP<sub>1-1</sub>).

Shishido, Yuko; Tomoike, Fumiaki; Kimura, Yasuaki; Kuwata, Keiko; Yano, Takato; Fukui, Kenji; Fujikawa, Haruka; Sekido, Yoshitaka; Murakami-Tonami, Yuko; Kameda, Tomoshi; Shuto, Satoshi; Abe, Hiroshi

A covalent G-site inhibitor for glutathione S-transferase Pi (GSTP_1-1).

Shishido, Yuko; Tomoike, Fumiaki; Kimura, Yasuaki; Kuwata, Keiko; Yano, Takato; Fukui, Kenji; Fujikawa, Haruka; Sekido, Yoshitaka; Murakami-Tonami, Yuko; Kameda, Tomoshi; Shuto, Satoshi; Abe, Hiroshi.

Afiliação

Shishido Y; Department of Chemistry, Graduate School of Science, Nagoya University, Furo-cho, Chikusa-Ku, Nagoya, 464-8602, Japan. h-abe@chem.nagoya-u.ac.jp.

Chem Commun (Camb) ; 53(81): 11138-11141, 2017 Oct 10.

Article em En | MEDLINE | ID: mdl-28848941

ABSTRACT

ABSTRACT

We herein report the first covalent G-site-binding inhibitor for GST, GS-ESF (1), which irreversibly inhibited the GSTP1-1 function. LC-MS/MS and X-ray structure analyses of the covalently linked GST-inhibitor complex suggested that 1 reacted with Tyr108 of GSTP1-1. The mechanism of covalent bond formation was discussed based on MD simulation results.

Assuntos

Inibidores Enzimáticos/farmacologia; Glutationa S-Transferase pi/antagonistas & inibidores; Relação Dose-Resposta a Droga; Inibidores Enzimáticos/síntese química; Inibidores Enzimáticos/química; Glutationa S-Transferase pi/metabolismo; Humanos; Simulação de Dinâmica Molecular; Estrutura Molecular; Relação Estrutura-Atividade

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Inibidores Enzimáticos / Glutationa S-Transferase pi Limite: Humans Idioma: En Ano de publicação: 2017 Tipo de documento: Article

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