• In Silico Comprehensive Study for Finding Potential Anti Biofilm Inhibiting Phyto-Chemical by Homology Modeling, Virtual Screening, Docking and Molecular Dynamics Simulation
Keywords:
phyto-chemical, simulation, homology modeling, virtual screening, dockingAbstract
Biofilm is an essential requirement of microbes for its propagation and it helps in self-defense against antibiotics and adverse environmental factors. But a boon for bacteria has unfavorable economic and health implications on humans. The sheer scale of biofilm formation makes it very difficult for a prepared industrial inhibitor to be economically feasible. This is where Phyto-chemicals can be used as a potential inhibitor because of its low cost of production and easy availability to be used on such a large scale. In this study, we aim to find a potential Phyto-chemical ligand for a Cellulose synthesizing protein BcsF for Salmonella typhimurium (strain LT2 / SGSC1412) which is one of the leading species of microbe that responsible for a biofilm-forming matrix. By screening antibacterial Phyto-chemical against our protein, we found that Procyanidin (Pubchem id 124017) had the least binding energy, which can be taken as a probable anti-biofilm agent for experimental validation.
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