Показать сокращенную информацию
dc.contributor.author | Suleimen, Yerlan Melsuly | |
dc.contributor.author | Metwaly, Ahmed M. | |
dc.contributor.author | Mostafa, Ahmad E. | |
dc.contributor.author | Elkaeed, Eslam B. | |
dc.contributor.author | Liu, Hong-Wei | |
dc.contributor.author | Basnet, Buddha Bahadur | |
dc.contributor.author | Suleimen, Raigul Nurbekkyzy | |
dc.contributor.author | Ishmuratova, Margarita Yulayevna | |
dc.contributor.author | Turdybekov, Koblandy Muboryakovich | |
dc.contributor.author | Heske, Kristof Van | |
dc.date.accessioned | 2024-09-20T09:55:14Z | |
dc.date.available | 2024-09-20T09:55:14Z | |
dc.date.issued | 2021 | |
dc.identifier.issn | 20909063 | |
dc.identifier.other | doi.org/10.1155/2021/5529786 | |
dc.identifier.uri | http://rep.enu.kz/handle/enu/16754 | |
dc.description.abstract | Ergosterol derivatives exhibited copious promising biological activities. +e fungus Gyromitra esculenta is widely distributed in Europe and North America. In order to examine the chemical properties of Gyromitra esculenta, a phytochemical study has been preceded and resulted in the isolation of the steroid, ergosta-5, 22-dien-3β-ol (brassicasterol), from its methanol extract.+e complete identification and absolute configuration of the isolated compound have been established by X-ray structural analysis to be (22E, 24R)-24-methylcholesta-5, 22-dien-3beta-ol. +e reported cytotoxicity and the great structural similarity of the isolated compound with the cocrystallized ligand of the aromatase enzyme inspired us to run molecular docking studies against that protein. Ergosta-5, 22-dien-3β-ol occupied the target protein with a binding mode almost the same as the cocrystallized ligand and a binding affinity of −33.55 kcal/mol, which was better than that of the cocrystallized ligand (−22.61 kcal/mol). +is promising result encouraged us to conduct in silico ADMETand toxicity studies of ergosta-5, 22-dien-3β-ol against 6 models, and the results expected the likeness of the isolated compound to be a drug. In conclusion, ergosta-5, 22-dien-3β-ol has been isolated from Gyromitra esculenta, identified by X-ray structural analysis, and exhibited promising in silico activities against aromatase enzyme. | ru |
dc.language.iso | en | ru |
dc.publisher | Journal of Chemistry | ru |
dc.relation.ispartofseries | Volume 2021, Article ID 5529786, 10 pages; | |
dc.title | Isolation, Crystal Structure, and In Silico Aromatase Inhibition Activity of Ergosta-5, 22-dien-3β-ol from the Fungus Gyromitra esculenta | ru |
dc.type | Article | ru |