Computational investigation of imidazo[2,1-b]oxazole derivatives as potential mutant BRAF kinase inhibitors: 3D-QSAR, molecular docking, molecular dynamics simulation, and ADMETox studies.

Boutalaka, Meryem; El Bahi, Salma; Alaqarbeh, Marwa; El Alaouy, Moulay Ahfid; Koubi, Yassine; Khatabi, Khalil El; Maghat, Hamid; Bouachrine, Mohammed; Lakhlifi, Tahar

Boutalaka, Meryem; El Bahi, Salma; Alaqarbeh, Marwa; El Alaouy, Moulay Ahfid; Koubi, Yassine; Khatabi, Khalil El; Maghat, Hamid; Bouachrine, Mohammed; Lakhlifi, Tahar.

Afiliação

Boutalaka M; Department of Chemistry, Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, University of Moulay Ismail, Meknes, Morocco.
El Bahi S; Department of Chemistry, Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, University of Moulay Ismail, Meknes, Morocco.
Alaqarbeh M; National Agricultural Research Center, Al-Baqa, Jordan.
El Alaouy MA; Department of Chemistry, Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, University of Moulay Ismail, Meknes, Morocco.
Koubi Y; Department of Chemistry, Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, University of Moulay Ismail, Meknes, Morocco.
Khatabi KE; Department of Chemistry, Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, University of Moulay Ismail, Meknes, Morocco.
Maghat H; Department of Chemistry, Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, University of Moulay Ismail, Meknes, Morocco.
Bouachrine M; Department of Chemistry, Molecular Chemistry and Natural Substances Laboratory, Faculty of Science, University of Moulay Ismail, Meknes, Morocco.
Lakhlifi T; EST Khenifra, Sultan Moulay Slimane University, Beni Mellal, Morocco.

J Biomol Struct Dyn ; : 1-20, 2023 Jul 09.

Article em En | MEDLINE | ID: mdl-37424193

Palavras-chave

3D-QSAR; ADMET; Anticancer; BRAF inhibitors; molecular modeling

Texto completo

Adicionar na Minha BVS

Imprimir

XML

PubMed Links

Buscar no Google

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

Texto completo

Adicionar na Minha BVS

Imprimir

XML

PubMed Links

Buscar no Google