In Silico Comprehensive Study for Finding Potential Anti Biofilm Inhibiting Phyto-Chemical by Homology Modeling, Virtual Screening, Docking and Molecular Dynamics Simulation

  • Ashutosh Nayak School of Biotechnology, KIIT University, INDIA
Keywords: phyto-chemical, simulation, homology modeling, virtual screening, docking

Abstract

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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Published
2021-06-20
How to Cite
Ashutosh Nayak. (2021). In Silico Comprehensive Study for Finding Potential Anti Biofilm Inhibiting Phyto-Chemical by Homology Modeling, Virtual Screening, Docking and Molecular Dynamics Simulation. International Journal for Research in Applied Sciences and Biotechnology, 8(3), 196-201. https://doi.org/10.31033/ijrasb.8.3.24
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Articles