Abstract

Molecular Docking, ADMET Property Analysis and Antibacterial Potency of Bioactive Compounds from Marine Bacillus cereus against ESPF (E. Coli)

Shalini T. S.*, Senthilraja P. and Manivel G.

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Abstract

Background: This research implies that the exploitation of Bacillus cereus could conceivably lay the groundwork for the formation of a pioneering antibacterial pharmaceutical agent. Aim: This study to indicate that Bacillus cereus could potentially explored for the development of antibacterial drug. Methods: The antibacterial activity of Bacillus cereus crude extract was demonstrated through molecular docking study and disc diffusion method. Result: Bacillus cereus crude extract, when compared to streptomycin, shows the most potent antibacterial activity against E. coli and Salmonella typhi at high concentrations. Compounds identified by pharmacokinetics properties their predicted biological targets are absorption, distribution, metabolism, excretion and toxicity (ADMET) parameters related to the screened compounds are included isobutyl acetate, methoxy acetic acid, 3-tetradecyl ester, and silicic acid diethyl bis (trimethylsilyl) ester and their interaction assessed by molecular docking of Pathogenic bacteria proteins like E. coli (PDB ID: 2YKT) and Salmonella Typhi (PDB ID: 5JW7) are used to evaluate their binding affinity.

Keywords: Antibacterial activity, ADMET, Bacillus cereus, E. coli, GC-MS, Molecular docking.