@article{MUTHUKRISHNAN_G._VARGHESE_2020, title={LEAD MOLECULE IDENTIFICATION FROM VITEX TRIFOLIA LINN FOR HELMINTHIASIS USING IN VITRO AND IN SILICO METHODS}, volume={12}, url={https://journals.innovareacademics.in/index.php/ijpps/article/view/36353}, DOI={10.22159/ijpps.2020v12i2.36353}, abstractNote={<p><strong>Objective: </strong>The study was an attempt to discover a lead molecule to treat helminthiasis using <em>Vitex trifolia. </em>Linn (<em>V. folia</em> Linn) through sterile effect,<em> in vitro </em>and<em> in silico</em> evaluation.</p> <p><strong>Methods: </strong>The antibacterial activity was done by Kirby-Bauer disc diffusion method in three different concentrations of extract and <em>in vitro</em> anthelmintic activity was carried out by petri dish and organ bath method. Further, the <em>in silico</em> docking studies were carried out by 11 phytoconstituents against phosphoethanolamine methyltransferase (4FGZ) using Auto Dock 4.2, it was working based on the principle of Lamarckian genetic algorithm. In docking studies, three important parameters such as binding energy, inhibition constant and intermolecular energy are determined.</p> <p><strong>Results: </strong>The extracts showed an antibacterial effect in three different concentrations. At 16 mcg/disc a significant effect was observed when compared to blank and ciprofloxacin 5 mcg/disc. The anthelmintic activity in the petri dish method, means paralyzing time of <em>Pheretimaposthuma</em> with the dose of 25, 50 and 100 mg/ml were 13.78, 5.79 and 4.57 min respectively and Piperazine citrate (10 mg/ml) showed paralysis in 21.58 min. In the organ bath method, the time for paralysis of the worm was recorded on a slow-moving Sherrington rotating drum and the study report showed that paralyzing time was decreased at increasing concentrations of the extract. The results of<em> in silico</em> studies exhibited a binding energy of-10.25kcal/mol, inhibitory constant (Ki) 30.91nM, intermolecular energy,-10.84kcal/mol for abietatriene-3-ol which is lesser than the standard ligand phosphoethanolamine (-6.03kcal/mol, 38.29µM,-7.82kcal/mol) respectively.</p> <p><strong>Conclusion: </strong>The study reports conclude that the active constituents in <em>V. folia</em> Linn having better anthelmintic activity, thus the active constituents may be optimized and make way to a new moiety for the treatment of helminthiasis.</p>}, number={2}, journal={International Journal of Pharmacy and Pharmaceutical Sciences}, author={MUTHUKRISHNAN, SOUNDARARAJAN and G., RAGUNATH and VARGHESE, BLESSY SUSAN}, year={2020}, month={Feb.}, pages={95–103} }