Molecular Dynamics Simulations Study of the Interactions between Human Dipeptidyl-Peptidase III and Two Substrates.

Zhang, Shitao; Lv, Shuai; Fu, Xueqi; Han, Lu; Han, Weiwei; Li, Wannan

Zhang, Shitao; Lv, Shuai; Fu, Xueqi; Han, Lu; Han, Weiwei; Li, Wannan.

Afiliação

Zhang S; Key Laboratory for Molecular Enzymology and Engineering of Ministry of Education, National Engineering Laboratory for AIDS Vaccine, School of Life Science, Jilin University, Changchun 130012, China.
Lv S; Key Laboratory for Molecular Enzymology and Engineering of Ministry of Education, National Engineering Laboratory for AIDS Vaccine, School of Life Science, Jilin University, Changchun 130012, China.
Fu X; Key Laboratory for Molecular Enzymology and Engineering of Ministry of Education, National Engineering Laboratory for AIDS Vaccine, School of Life Science, Jilin University, Changchun 130012, China.
Han L; Key Laboratory for Molecular Enzymology and Engineering of Ministry of Education, National Engineering Laboratory for AIDS Vaccine, School of Life Science, Jilin University, Changchun 130012, China.
Han W; Key Laboratory for Molecular Enzymology and Engineering of Ministry of Education, National Engineering Laboratory for AIDS Vaccine, School of Life Science, Jilin University, Changchun 130012, China.
Li W; Key Laboratory for Molecular Enzymology and Engineering of Ministry of Education, National Engineering Laboratory for AIDS Vaccine, School of Life Science, Jilin University, Changchun 130012, China.

Molecules ; 26(21)2021 Oct 27.

Article em En | MEDLINE | ID: mdl-34770898

Assuntos

Dipeptidil Peptidases e Tripeptidil Peptidases/química; Simulação de Acoplamento Molecular; Simulação de Dinâmica Molecular; Sítios de Ligação; Catálise; Dipeptidil Peptidases e Tripeptidil Peptidases/metabolismo; Humanos; Ligação de Hidrogênio; Interações Hidrofóbicas e Hidrofílicas; Ligantes; Inibidores de Proteases/química; Inibidores de Proteases/farmacologia; Ligação Proteica; Conformação Proteica; Relação Estrutura-Atividade; Especificidade por Substrato

Palavras-chave

conformational changes; human dipeptidyl-peptidase III; molecular dynamics simulations; substrate

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Dipeptidil Peptidases e Tripeptidil Peptidases / Simulação de Dinâmica Molecular / Simulação de Acoplamento Molecular Idioma: En Ano de publicação: 2021 Tipo de documento: Article

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