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Characterization and Phospholipase A2 Inhibitory Potential of Guiera senegalensis Leaves Extracts via Experimental and Computational Approaches

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Submitted:

18 December 2024

Posted:

19 December 2024

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Abstract

Medicinal plants have been used extensively as sources of a wide variety of biologically active compounds for many centuries and as crude materials or pure compounds for treating various disease conditions. The leaves of the plant have been applied in treating snakebite, stomach ache, cough and so on. The plant leaves were extracted with hexane and methanol using the soxhlet extraction process. In this study, leaf extracts of G. senegalensis were profiled and evaluated for their phospholipase A2 inhibitory potential via experimental and computational approaches. Characterization of the extracts was done using GC-MS analysis, Antisnake venom screening was conducted using PLA2 acidimetric assay while Insilco molecular docking studies was performed using AutoDock vina in PyRx and ADMET was predicted using swiiADME and protox-II online servers. GC-MS analysis revealed the presence of 50 compounds from which 14, 4, 15, 13 and 13 were for hexane, chloroform, ethyl acetate, butanol and aqueous fractions respectively. The PLA2 acidimetric assay was used to screen the fractions for inhibitory activity against N. nigricollis venom in vitro. The results showed that the aqueous fraction was the most active, with PLA2 inhibition ranging from 66.18 to 74.67% at 1.0 to 0.125 mg/cm3, respectively. The fractions inhibited the hydrolytic effects of the N. nigricollis PLA2 enzyme, exhibiting considerable (p<0.05) antisnake venom activity. In comparison to the standards, four compounds exhibited a higher docking score (-8.7 to -8.4 kcal/mol). Insilico ADME and Drug-likeness revealed the compounds have passed absorptivity test for oral medication as well as indicating lower likelihood of interacting with other drugs. The results also showed the compounds to be slightly toxic. The results of this study supported the use of G. senegalensis in traditional medicine by demonstrating that its leaves contains phytoconstituents with antisnake properties.

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Subject: Chemistry and Materials Science  -   Applied Chemistry
Copyright: This open access article is published under a Creative Commons CC BY 4.0 license, which permit the free download, distribution, and reuse, provided that the author and preprint are cited in any reuse.
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