Exploration of Binding Mechanism of a Potential <i>Streptococcus pneumoniae</i> Neuraminidase Inhibitor from Herbaceous Plants by Molecular Simulation.

Guan, Shanshan; Zhu, Ketong; Dong, Yanjiao; Li, Hao; Yang, Shuang; Wang, Song; Shan, Yaming

Exploration of Binding Mechanism of a Potential Streptococcus pneumoniae Neuraminidase Inhibitor from Herbaceous Plants by Molecular Simulation.

Guan, Shanshan; Zhu, Ketong; Dong, Yanjiao; Li, Hao; Yang, Shuang; Wang, Song; Shan, Yaming.

Afiliação

Guan S; College of Food Engineering, Jilin Engineering Normal University, Changchun 130052, Jilin, China.
Zhu K; Key Laboratory of Molecular Nutrition at Universities of Jilin Province, Changchun 130052, Jilin, China.
Dong Y; College of Food Engineering, Jilin Engineering Normal University, Changchun 130052, Jilin, China.
Li H; Key Laboratory of Molecular Nutrition at Universities of Jilin Province, Changchun 130052, Jilin, China.
Yang S; College of Food Engineering, Jilin Engineering Normal University, Changchun 130052, Jilin, China.
Wang S; Key Laboratory of Molecular Nutrition at Universities of Jilin Province, Changchun 130052, Jilin, China.
Shan Y; College of Food Engineering, Jilin Engineering Normal University, Changchun 130052, Jilin, China.

Int J Mol Sci ; 21(3)2020 Feb 03.

Article em En | MEDLINE | ID: mdl-32028720

Assuntos

Antibacterianos/metabolismo; Proteínas de Bactérias/antagonistas & inibidores; Ácido Clorogênico/metabolismo; Inibidores Enzimáticos/metabolismo; Magnoliopsida/química; Neuraminidase/antagonistas & inibidores; Streptococcus pneumoniae/enzimologia; Sítios de Ligação; Ligação de Hidrogênio; Simulação de Acoplamento Molecular; Simulação de Dinâmica Molecular

Palavras-chave

Streptococcus pneumoniae; chlorogenic acid; molecular docking; molecular dynamics simulation; neuraminidase

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Streptococcus pneumoniae / Proteínas de Bactérias / Ácido Clorogênico / Magnoliopsida / Inibidores Enzimáticos / Antibacterianos / Neuraminidase Idioma: En Revista: Int J Mol Sci Ano de publicação: 2020 Tipo de documento: Article País de afiliação: China País de publicação: Suíça

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