Molecular docking and dynamics guided approach to identify potential anti-inflammatory molecules as NRF2 activator to protect against drug-induced liver injury (DILI): a computational study.

Mili, Ajay; Das, Subham; Nandakumar, Krishnadas; Lobo, Richard

Mili, Ajay; Das, Subham; Nandakumar, Krishnadas; Lobo, Richard.

Afiliação

Mili A; Department of Pharmacognosy, Manipal College of Pharmaceutical Sciences, Manipal Academy of Higher Education, Manipal, India.
Das S; Department of Pharmaceutical Chemistry, Manipal College of Pharmaceutical Sciences, Manipal Academy of Higher Education, Manipal, India.
Nandakumar K; Department of Pharmacology, Manipal College of Pharmaceutical Sciences, Manipal Academy of Higher Education, Manipal, India.
Lobo R; Department of Pharmacognosy, Manipal College of Pharmaceutical Sciences, Manipal Academy of Higher Education, Manipal, India.

J Biomol Struct Dyn ; 41(19): 9193-9210, 2023 11.

Article em En | MEDLINE | ID: mdl-36326112

Assuntos

Doença Hepática Induzida por Substâncias e Drogas; Fator 2 Relacionado a NF-E2; Humanos; Simulação de Acoplamento Molecular; Ligação Proteica; Fator 2 Relacionado a NF-E2/metabolismo; Ligantes; Proteína 1 Associada a ECH Semelhante a Kelch/metabolismo; Simulação de Dinâmica Molecular; Doença Hepática Induzida por Substâncias e Drogas/prevenção & controle; Anti-Inflamatórios/farmacologia

Palavras-chave

ADMET; DILI; NRF2; anti-inflammatory; molecular docking; molecular dynamics

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

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