Pharmacophore-based virtual screening, molecular docking, and molecular dynamics studies for the discovery of novel FLT3 inhibitors.

Ouassaf, Mebarka; Daoui, Ossama; Alam, Sarfaraz; Elkhattabi, Souad; Belaidi, Salah; Chtita, Samir

Ouassaf, Mebarka; Daoui, Ossama; Alam, Sarfaraz; Elkhattabi, Souad; Belaidi, Salah; Chtita, Samir.

Afiliação

Ouassaf M; Group of Computational and Medicinal Chemistry, LMCE Laboratory, University of Biskra, Biskra, Algeria.
Daoui O; Laboratory of Engineering, Systems, and Applications, National School of Applied Sciences, Sidi Mohamed Ben Abdellah-Fez University, Fez, Morocco.
Alam S; Department of Chemical Engineering, University of Waterlo, Waterloo, Canada.
Elkhattabi S; Laboratory of Engineering, Systems, and Applications, National School of Applied Sciences, Sidi Mohamed Ben Abdellah-Fez University, Fez, Morocco.
Belaidi S; Group of Computational and Medicinal Chemistry, LMCE Laboratory, University of Biskra, Biskra, Algeria.
Chtita S; Laboratory of Analytical and Molecular Chemistry, Faculty of Sciences Ben M'Sik, Hassan II University of Casablanca, Casablanca, Morocco.

J Biomol Struct Dyn ; 41(16): 7712-7724, 2023.

Article em En | MEDLINE | ID: mdl-36106982

Palavras-chave

E-pharmacophore; FLT3 inhibitors; Gilteritinib; dynamic simulation; molecular docking

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

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