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 |