DEVELOPMENT OF NEW CYCLOPHILIN D RECEPTOR INHIBITORS FOR THE TREATMENT OF MULTIPLE SCLEROSIS
نویسندگان
چکیده
Objective: In this study, it was aimed to carry out computational studies for the development of new molecules inhibition cyclophilin D (CypD) receptor, which causes disability mitochondrial function in multiple sclerosis (MS) disease. Material and Method: Pharmacophore modeling study applied via PharmaGist Web server CypD inhibitors detected by literature search. According best pharmacophore models from PharmaGist, 80 were obtained ZINCPharmer database, silico ADME/Toxicology analysis these molecules. Then, molecular docking performed with ligands that gave results as a result ADME/Tox analyses Autodock Vina program. Result Discussion: ZINC00390492 molecule shows binding affinity profile both CypD, Sphingosine-1-phosphate receptor 1. It has been demonstrated may be lead treatment MS.
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ژورنال
عنوان ژورنال: Ankara Üniversitesi Eczac?l?k Fakültesi dergisi
سال: 2022
ISSN: ['1015-3918', '2564-6524']
DOI: https://doi.org/10.33483/jfpau.1090546