Investigation of the selectivity of one type of small-molecule inhibitor for three Na<sub>v</sub> channel isoforms based on the method of computer simulation.

Zhao, Fan; Jin, Wei; Ma, Lin; Zhang, Jian-Ye; Wang, Jin-Long; Zhang, Jing-Hai; Song, Yong-Bo

Investigation of the selectivity of one type of small-molecule inhibitor for three Na_v channel isoforms based on the method of computer simulation.

Zhao, Fan; Jin, Wei; Ma, Lin; Zhang, Jian-Ye; Wang, Jin-Long; Zhang, Jing-Hai; Song, Yong-Bo.

Afiliação

Zhao F; a School of Life Science and Bio-pharmaceutics , Shenyang Pharmaceutical University , 103 Wenhua Road, Shenyang 110016 , China.
Jin W; a School of Life Science and Bio-pharmaceutics , Shenyang Pharmaceutical University , 103 Wenhua Road, Shenyang 110016 , China.
Ma L; a School of Life Science and Bio-pharmaceutics , Shenyang Pharmaceutical University , 103 Wenhua Road, Shenyang 110016 , China.
Zhang JY; a School of Life Science and Bio-pharmaceutics , Shenyang Pharmaceutical University , 103 Wenhua Road, Shenyang 110016 , China.
Wang JL; a School of Life Science and Bio-pharmaceutics , Shenyang Pharmaceutical University , 103 Wenhua Road, Shenyang 110016 , China.
Zhang JH; a School of Life Science and Bio-pharmaceutics , Shenyang Pharmaceutical University , 103 Wenhua Road, Shenyang 110016 , China.
Song YB; a School of Life Science and Bio-pharmaceutics , Shenyang Pharmaceutical University , 103 Wenhua Road, Shenyang 110016 , China.

J Biomol Struct Dyn ; 37(3): 702-713, 2019 Feb.

Article em En | MEDLINE | ID: mdl-29448911

Assuntos

Simulação de Dinâmica Molecular; Bibliotecas de Moléculas Pequenas/farmacologia; Bloqueadores dos Canais de Sódio/farmacologia; Canais de Sódio/metabolismo; Sequência de Aminoácidos; Humanos; Domínios Proteicos; Isoformas de Proteínas/metabolismo; Canais de Sódio/química; Eletricidade Estática; Termodinâmica

Palavras-chave

Na1.4; Na1.5; Na1.7; VSD4; molecular dynamics simulation; sodium channel inhibitor

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Canais de Sódio / Bloqueadores dos Canais de Sódio / Bibliotecas de Moléculas Pequenas / Simulação de Dinâmica Molecular Limite: Humans Idioma: En Revista: J Biomol Struct Dyn Ano de publicação: 2019 Tipo de documento: Article

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