In silico research on new sulfonamide derivatives as BRD4 inhibitors targeting acute myeloid leukemia using various computational techniques including 3D-QSAR, HQSAR, molecular docking, ADME/Tox, and molecular dynamics.

Belghalia, Etibaria; Ouabane, Mohamed; El Bahi, Salma; Rehman, Hafiz Muzzammel; Sbai, Abdelouahid; Lakhlifi, Tahar; Bouachrine, Mohammed

Belghalia, Etibaria; Ouabane, Mohamed; El Bahi, Salma; Rehman, Hafiz Muzzammel; Sbai, Abdelouahid; Lakhlifi, Tahar; Bouachrine, Mohammed.

Afiliación

Belghalia E; Molecular chemistry and Natural Substances Laboratory, Faculty of Science, University Moulay Ismail, Meknes, Morocco.
Ouabane M; Molecular chemistry and Natural Substances Laboratory, Faculty of Science, University Moulay Ismail, Meknes, Morocco.
El Bahi S; Chemistry- Biologie Applied to the Environment URL CNRT 13, Department of Chemistry, Faculty of Science, Moulay Ismail University, Meknes, Morocco.
Rehman HM; Molecular chemistry and Natural Substances Laboratory, Faculty of Science, University Moulay Ismail, Meknes, Morocco.
Sbai A; School of Biochemistry and Biotechnology, University of the Punjab, Lahore, Pakistan.
Lakhlifi T; Molecular chemistry and Natural Substances Laboratory, Faculty of Science, University Moulay Ismail, Meknes, Morocco.
Bouachrine M; Molecular chemistry and Natural Substances Laboratory, Faculty of Science, University Moulay Ismail, Meknes, Morocco.

J Biomol Struct Dyn ; : 1-19, 2023 Sep 01.

Article en En | MEDLINE | ID: mdl-37656159

Palabras clave

3D-QSAR; ADMET; BRD4; CoMFA; CoMSIA; HQSAR; MD simulation; molecular docking; sulfonamide derivatives

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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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