A computer-aided drug design approach to explore novel type II inhibitors of c-Met receptor tyrosine kinase for cancer therapy: QSAR, molecular docking, ADMET and molecular dynamics simulations.

Daoui, Ossama; Nour, Hassan; Abchir, Oussama; Elkhattabi, Souad; Bakhouch, Mohamed; Chtita, Samir

Daoui, Ossama; Nour, Hassan; Abchir, Oussama; Elkhattabi, Souad; Bakhouch, Mohamed; Chtita, Samir.

Afiliación

Daoui O; Laboratory of Engineering, Systems and Applications, National School of Applied Sciences, Sidi Mohamed Ben Abdellah-Fez University, Fez, Morocco.
Nour H; Laboratory of Analytical and Molecular Chemistry, Faculty of Sciences Ben M'Sik, Hassan II University of Casablanca, Casablanca, Morocco.
Abchir O; Laboratory of Analytical and Molecular Chemistry, Faculty of Sciences Ben M'Sik, Hassan II University of Casablanca, Casablanca, Morocco.
Elkhattabi S; Laboratory of Engineering, Systems and Applications, National School of Applied Sciences, Sidi Mohamed Ben Abdellah-Fez University, Fez, Morocco.
Bakhouch M; Laboratory of Bioorganic Chemistry, Department of Chemistry, Faculty of Sciences, Chouaïb Doukkali University, El Jadida, Morocco.
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): 7768-7785, 2023.

Article en En | MEDLINE | ID: mdl-36120976

Palabras clave

3D-QSAR; ADMET; c-Met; cancer; inhibitors type II; molecular docking; molecular dynamics

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: J Biomol Struct Dyn Año: 2023 Tipo del documento: Article País de afiliación: Marruecos Pais de publicación: Reino Unido

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