Discovery of novel potent drugs for influenza by inhibiting the vital function of neuraminidase via fragment-based drug design (FBDD) and molecular dynamics simulation strategies.

Bourougaa, Lotfi; Ouassaf, Mebarka; Shtaiwi, Amneh

Bourougaa, Lotfi; Ouassaf, Mebarka; Shtaiwi, Amneh.

Afiliação

Bourougaa L; Group of Computational and Medicinal Chemistry, Laboratory of Molecular Chemistry and Environment, University of Biskra, Biskra, Algeria.
Ouassaf M; Group of Computational and Medicinal Chemistry, Laboratory of Molecular Chemistry and Environment, University of Biskra, Biskra, Algeria.
Shtaiwi A; Faculty of Pharmacy, Middle East University Amman, Amman, Jordan.

J Biomol Struct Dyn ; : 1-15, 2023 Aug 28.

Article em En | MEDLINE | ID: mdl-37640004

Palavras-chave

ADMET; Influenza; MM-PBSA; fragment-based drug design; gromacs; molecular docking; molecular dynamics; neuraminidase inhibitors

Texto completo

Adicionar na Minha BVS

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Biomol Struct Dyn Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Argélia País de publicação: Reino Unido

Texto completo

Adicionar na Minha BVS

Imprimir

XML

PubMed Links

Buscar no Google