Secondary metabolite based anti-inflammatory, antioxidant activities, drug like properties, molecular docking enzyme inhibitors of selected medicinal plant Bacopa monnieri (L)Wettst
Bacopa monnieri (L)Wettst is a local endemic species from the Bacopa L. genus. In traditional medicine, the monnieri species is used to cure a variety of illnesses. Studies of this species' biological activity are scarce in the literature. The FRAP capacity and free radical scavenging activity...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-09-01
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| Series: | The Microbe |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2950194625002468 |
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| Summary: | Bacopa monnieri (L)Wettst is a local endemic species from the Bacopa L. genus. In traditional medicine, the monnieri species is used to cure a variety of illnesses. Studies of this species' biological activity are scarce in the literature. The FRAP capacity and free radical scavenging activity of MeOH and Chloroform leaf extracts, respectively, were measured to assess their antioxidant properties. The study investigates the antioxidant and anti-inflammatory properties of Bacopa monnieri (L)Wettst leaf extracts and their molecular docking interactions, revealing promising therapeutic potential. The methanol extracts likewise exhibited the strongest MeOH free radical scavenging capabilities, with the antioxidant activity increasing noticeably. In addition, the crude methanol and chloroform extracts of Bacopa monnieri suppressed the inflammatory test in comparison to the positive control, aspirin. GC-MS (Gas chromatography-mass spectrometry) study and utilized as a binding compound (ligand) for biological target interactions. The molecular docking study evaluated the binding affinities of various compounds with four protein targets (1EQH, 1HNY, 1V40, and 3WYI). The docking scores (in kcal/mol) indicate the strength of interaction, where a lower (more negative) value suggests stronger binding affinity. The results reveal that 6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one demonstrated the strongest binding affinity across multiple targets, with docking scores as low as −7.2 kcal/mol (1V40) and −7.1 kcal/mol (1HNY). Hence, it was indicated that the phytoconstituents of Bacopa monnieri(L)Wettst could serve as a potential approach for designing future inflammatory drugs. |
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| ISSN: | 2950-1946 |