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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| Format: | Article |
| Language: | English |
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MDPI AG
2022-10-01
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| Series: | Biomolecules |
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| Online Access: | https://www.mdpi.com/2218-273X/12/10/1430 |
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| author | Mater H. Mahnashi Osama M. Alshehri |
| author_facet | Mater H. Mahnashi Osama M. Alshehri |
| author_sort | Mater H. Mahnashi |
| collection | DOAJ |
| description | 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. |
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| language | English |
| last_indexed | 2024-03-09T20:37:00Z |
| publishDate | 2022-10-01 |
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| record_format | Article |
| series | Biomolecules |
| spelling | doaj.art-7aa93bd220854d86af385972267bc2db2023-11-23T23:08:33ZengMDPI AGBiomolecules2218-273X2022-10-011210143010.3390/biom12101430Isolation, In Vitro and In Silico Anti-Alzheimer and Anti-Inflammatory Studies on Phytosteroids from Aerial Parts of <i>Fragaria × ananassa</i> DuchMater H. Mahnashi0Osama M. Alshehri1Department of Pharmaceutical Chemistry, College of Pharmacy, Najran University, P.O. Box 1988, Najran 61441, Saudi ArabiaDepartment of Clinical Laboratory Sciences, Faculty of Applied Medical Sciences, Najran University, P.O. Box 1988, Najran 61441, Saudi ArabiaBased 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.https://www.mdpi.com/2218-273X/12/10/1430<i>Fragaria × ananassa</i>phytosteroidsanticholinesteraseCOX5-LOX and antioxidant |
| spellingShingle | Mater H. Mahnashi Osama M. Alshehri Isolation, In Vitro and In Silico Anti-Alzheimer and Anti-Inflammatory Studies on Phytosteroids from Aerial Parts of <i>Fragaria × ananassa</i> Duch Biomolecules <i>Fragaria × ananassa</i> phytosteroids anticholinesterase COX 5-LOX and antioxidant |
| title | Isolation, In Vitro and In Silico Anti-Alzheimer and Anti-Inflammatory Studies on Phytosteroids from Aerial Parts of <i>Fragaria × ananassa</i> Duch |
| title_full | Isolation, In Vitro and In Silico Anti-Alzheimer and Anti-Inflammatory Studies on Phytosteroids from Aerial Parts of <i>Fragaria × ananassa</i> Duch |
| title_fullStr | Isolation, In Vitro and In Silico Anti-Alzheimer and Anti-Inflammatory Studies on Phytosteroids from Aerial Parts of <i>Fragaria × ananassa</i> Duch |
| title_full_unstemmed | Isolation, In Vitro and In Silico Anti-Alzheimer and Anti-Inflammatory Studies on Phytosteroids from Aerial Parts of <i>Fragaria × ananassa</i> Duch |
| title_short | Isolation, In Vitro and In Silico Anti-Alzheimer and Anti-Inflammatory Studies on Phytosteroids from Aerial Parts of <i>Fragaria × ananassa</i> Duch |
| title_sort | isolation in vitro and in silico anti alzheimer and anti inflammatory studies on phytosteroids from aerial parts of i fragaria ananassa i duch |
| topic | <i>Fragaria × ananassa</i> phytosteroids anticholinesterase COX 5-LOX and antioxidant |
| url | https://www.mdpi.com/2218-273X/12/10/1430 |
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