Identification of new potent agonists for toll-like receptor 8 by virtual screening methods, molecular dynamics simulation, and MM-GBSA.

Sadeghkhani, Farideh; Hajihassan, Zahra; Gharaghani, Sajjad

Sadeghkhani, Farideh; Hajihassan, Zahra; Gharaghani, Sajjad.

Afiliação

Sadeghkhani F; Department of Life Science Engineering, Faculty of New Sciences & Technologies, University of Tehran, Tehran, Iran.
Hajihassan Z; Department of Life Science Engineering, Faculty of New Sciences & Technologies, University of Tehran, Tehran, Iran.
Gharaghani S; Laboratory of Bioinformatics and Drug Design, Institute of Biochemistry and Biophysics, University of Tehran, Tehran, Iran.

J Biomol Struct Dyn ; 41(19): 10026-10036, 2023 11.

Article em En | MEDLINE | ID: mdl-36469705

Assuntos

Simulação de Dinâmica Molecular; Neoplasias; Humanos; Receptor 8 Toll-Like; Simulação de Acoplamento Molecular; Ligantes

Palavras-chave

MM-GBSA; Toll-like receptor 8; docking; molecular dynamics simulation; virtual screening

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular / Neoplasias Tipo de estudo: Diagnostic_studies / Prognostic_studies / Screening_studies Limite: Humans Idioma: En Revista: J Biomol Struct Dyn Ano de publicação: 2023 Tipo de documento: Article

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