Comparative Inhibition Study of Compounds Identified in the Methanolic Extract of Apamarga Kshara Against Trichomonas vaginalis Carbamate Kinase (TvCK): An Enzoinformatics Approach

Abstract In the present study, we have identified ten compounds, namely dodecanol acid, myristic acid, neophytadiene, palmitic acid, heptadecanoic acid, linoleic acid, elaidic acid, 3-7-dimethyl acid, stearic acid and methyl eicos acid, of the methanolic extract ofApamarga Kshara by GC –MS analysis.Apamarga Kshara has been reported to be active against cervical erosion. Major causal organism for cervical erosion isTrichomonas vaginalis. However, there is a paucity of information about the mechanism of action and inhibitory effect of the biologically active natural compounds presented inA. Kshara against this organism (T.vaginalis). Therefore, present investigation was conducted to observe possible interactions of these compounds onT.vaginalis carbamate kinase using molecular docking software ‘AutoDock 4.2.’ Identification of the amino acid residues crucial for the interaction betweenT.vaginalis carbamate kinase and these natural compounds is of due scientific interest. The study will aid in efficacious and safe clinical use of the above-mentioned compounds.
Source: Interdisciplinary Sciences, Computational Life Sciences - Category: Bioinformatics Source Type: research