The 340-cavity in neuraminidase provides new opportunities for influenza drug development: A molecular dynamics simulation study.

Han, Nanyu; Mu, Yuguang; Miao, Huabiao; Yang, Yunjuan; Wu, Qian; Li, Junjun; Ding, Junmei; Xu, Bo; Huang, Zunxi

Han, Nanyu; Mu, Yuguang; Miao, Huabiao; Yang, Yunjuan; Wu, Qian; Li, Junjun; Ding, Junmei; Xu, Bo; Huang, Zunxi.

Afiliação

Han N; School of Life Sciences, Yunnan Normal University, Kunming, 650500, China; Key Laboratory of Enzyme Engineering, Yunnan Normal University, Kunming, 650500, China.
Mu Y; School of Biological Sciences, Nanyang Technological University, Singapore. Electronic address: ygmu@ntu.edu.sg.
Miao H; School of Life Sciences, Yunnan Normal University, Kunming, 650500, China; Key Laboratory of Enzyme Engineering, Yunnan Normal University, Kunming, 650500, China.
Yang Y; School of Life Sciences, Yunnan Normal University, Kunming, 650500, China; Key Laboratory of Enzyme Engineering, Yunnan Normal University, Kunming, 650500, China.
Wu Q; School of Life Sciences, Yunnan Normal University, Kunming, 650500, China; Key Laboratory of Enzyme Engineering, Yunnan Normal University, Kunming, 650500, China.
Li J; School of Life Sciences, Yunnan Normal University, Kunming, 650500, China; Key Laboratory of Enzyme Engineering, Yunnan Normal University, Kunming, 650500, China.
Ding J; School of Life Sciences, Yunnan Normal University, Kunming, 650500, China; Key Laboratory of Enzyme Engineering, Yunnan Normal University, Kunming, 650500, China.
Xu B; School of Life Sciences, Yunnan Normal University, Kunming, 650500, China; Key Laboratory of Enzyme Engineering, Yunnan Normal University, Kunming, 650500, China.
Huang Z; School of Life Sciences, Yunnan Normal University, Kunming, 650500, China; Key Laboratory of Enzyme Engineering, Yunnan Normal University, Kunming, 650500, China. Electronic address: huangzunxi@163.com.

Biochem Biophys Res Commun ; 470(1): 130-136, 2016 Jan 29.

Article em En | MEDLINE | ID: mdl-26768362

Assuntos

Desenho de Fármacos; Vírus da Influenza A/enzimologia; Modelos Químicos; Simulação de Dinâmica Molecular; Neuraminidase/química; Neuraminidase/ultraestrutura; Motivos de Aminoácidos; Sequência de Aminoácidos; Sítios de Ligação; Ativação Enzimática; Inibidores Enzimáticos/química; Humanos; Dados de Sequência Molecular; Neuraminidase/antagonistas & inibidores; Ligação Proteica; Conformação Proteica

Palavras-chave

340-cavity; Hotspot; Molecular dynamics simulation; Neuraminidase

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Vírus da Influenza A / Desenho de Fármacos / Simulação de Dinâmica Molecular / Modelos Químicos / Neuraminidase Tipo de estudo: Prognostic_studies Limite: Humans Idioma: En Ano de publicação: 2016 Tipo de documento: Article

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