Cytotoxic and apoptotic effects of some (R)-carvone-isoxazoline derivatives on human fibrosarcoma and carcinoma cells: experimental evaluation for cytotoxicity, molecular docking and molecular dynamics studies.
Fiche publication
Date publication
janvier 2022
Journal
Journal of biomolecular structure & dynamics
Auteurs
Membres identifiés du Cancéropôle Est :
Pr MORJANI Hamid
Tous les auteurs :
Oubella A, Bimoussa A, Byadi S, Laamari Y, Fawzi M, N'ait Ousidi A, Oblack D, Auhmani A, Riahi A, Morjani H, Ait Itto MY
Lien Pubmed
Résumé
This study aimed to analyze the cytotoxic and apoptotic effects of isoxazoline derivatives with monoterpene scaffold in HT-1080 fibrosarcoma, MCF-7, and MDA-MB-231 breast carcinoma, and A-549 lung carcinoma. The cytotoxic effects data revealed that compounds 9a-e generally induced significant cell growth inhibition in all cell lines, with IC ranging from 10 to 30 µM. However, for compounds and , the IC reached a value of 100 µM in HT-1080 cells. Compounds , and could induce apoptosis in HT-1080 cells as demonstrated by Annexin-V labeling and Caspase-3/7 activity. The apoptotic effect was accompanied by cell cycle arrest in the S phase. Molecular docking and molecular dynamics confirmed the empirical assay results and confirmed the stability of the complex with the inhibition of the anti-apoptotic protein, leading to cancer cell death. Overall, these data suggest that the proposed isoxazoline derivatives may be potential candidates for further investigation to evaluate their efficacy and optimal use in cancer treatment.Communicated by Ramaswamy H. Sarma.
Mots clés
Isoxazoline, anticancer agents, apoptosis, carcinoma, cytotoxicity, fibrosarcoma, molecular docking
Référence
J Biomol Struct Dyn. 2022 Jan 11;:1-14