Isolation, In Vitro and In Silico Anti-Alzheimer and Anti-Inflammatory Studies on Phytosteroids from Aerial Parts of <i>Fragaria × ananassa</i> Duch

Based on the pharmacological importance of different species of fragaria, this research was carried out for the isolation of bioactive compounds from <i>Fragaria × ananassa</i>. Using the conventional gravity column chromatography followed by small analytical column purification, two maj...

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Bibliographic Details
Main Authors: Mater H. Mahnashi, Osama M. Alshehri
Format: Article
Language:English
Published: MDPI AG 2022-10-01
Series:Biomolecules
Subjects:
Online Access:https://www.mdpi.com/2218-273X/12/10/1430
Description
Summary:Based on the pharmacological importance of different species of fragaria, this research was carried out for the isolation of bioactive compounds from <i>Fragaria × ananassa</i>. Using the conventional gravity column chromatography followed by small analytical column purification, two major components were isolated from the plant materials. The structures of both compounds (<b>1</b> and <b>2</b>) were accurately confirmed with GC-MS analysis by comparison of the fragmentation pattern within the library of the instrument. Further, the NMR analysis was also used to supplement the structural evidence. Compound <b>1</b> was observed to be 4,22-cholestadien-3-one, while compound <b>2</b> was identified as stigmast-4-en-3-one. Both compounds were evaluated for anticholinesterase, COX/LOX inhibitions and antioxidant assays. Compound <b>1</b> exhibited the IC<sub>50</sub> values of 20.29, 27.35, 10.70, 80.10 and 7.40 μg/mL against acetylcholinesterase, butyrylcholinesterase, COX-2, COX-1 and 5-LOX, respectively. Similarly, the IC<sub>50</sub> values of compound <b>2</b> against the same targets were 14.51, 10.65, 8.45, 109.40 and 8.71 μg/mL. Similarly, both compounds were less potent in ABTS and DPPH targets with IC<sub>50</sub> values in the range of 185.83–369.86 μg/mL. Despite the low potencies of these compounds in antioxidant targets, they can be considered as supplementary targets in Alzheimer and inflammation. The molecular docking studies for the in vitro anti-Alzheimer and anti-inflammatory targets were also performed, which showed excellent binding interactions with the respective target proteins. In conclusion, the isolated phytosteroids from <i>Fragaria × ananassa</i> were evaluated scientifically for anti-Alzheimer and anti-inflammatory activities using in vitro and molecular docking approaches.
ISSN:2218-273X