Abstract
Objective: The study was an attempt to discover a lead molecule to treat helminthiasis using Vitex trifolia. Linn (V. folia Linn) through sterile effect, in vitro and in silico evaluation.
 Methods: The antibacterial activity was done by Kirby-Bauer disc diffusion method in three different concentrations of extract and in vitro anthelmintic activity was carried out by petri dish and organ bath method. Further, the in silico 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.
 Results: 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 Pheretimaposthuma 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 in silico 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.
 Conclusion: The study reports conclude that the active constituents in V. folia Linn having better anthelmintic activity, thus the active constituents may be optimized and make way to a new moiety for the treatment of helminthiasis.
Highlights
Helminthiasis is one of the major public health issues across many countries
Current research is focussed on natural products having an anthelmintic activity that may be useful in helminthiasis
The total methanolic leaves extract of V. trifolia was screened for its antibacterial activity against organisms such as Shigella, Staphylococcus, streptococci, Streptococcus pneumoniae Haemophilusinfluenzae, klebisella, Proteusvulgaris and Salmonellatyphi by Kirby-Bauer disc diffusion method
Summary
Helminthiasis is one of the major public health issues across many countries. Anthelmintic drugs have been the only effective method of controlling worm infestations, but there is widespread parasite resistance to most of the commercially available drugs [1, 2]. Current research is focussed on natural products having an anthelmintic activity that may be useful in helminthiasis. The leaves, roots, essential oils parts are mostly used as a dried whole plant are used in the traditional system of medicine. It is a stout aromatic found throughout the greater part of India, Western Ghats, and Himalaya southwards. The leaves of the 3-foliolate of Vitex negundo closely resemble V. trifolia [3, 4] These leaves are used for rheumatic pain and inflammation [5, 6] and have, anti-convulsant, sedatives-hypnotic activity [7] etc. The nematodes plasma membrane nematodes biosynthesized from phosphatidylcholine [2]
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