Mutational analyses, pharmacophore-based inhibitor design and in silico validation for Zika virus NS3-helicase.

Durgam, Laxman; Pagag, Jishu; Indra Neela, Y; Guruprasad, Lalitha

Durgam, Laxman; Pagag, Jishu; Indra Neela, Y; Guruprasad, Lalitha.

Afiliação

Durgam L; School of Chemistry, University of Hyderabad, Hyderabad, India.
Pagag J; School of Chemistry, University of Hyderabad, Hyderabad, India.
Indra Neela Y; School of Chemistry, University of Hyderabad, Hyderabad, India.
Guruprasad L; School of Chemistry, University of Hyderabad, Hyderabad, India.

J Biomol Struct Dyn ; : 1-19, 2023 Sep 15.

Article em En | MEDLINE | ID: mdl-37712848

Palavras-chave

DFT; HOMO; LUMO; Zika virus NS3-helicase; binding free energy; drug-like properties; molecular docking; molecular dynamics simulations; mutational analyses; pharmacophore

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article