Corresponding Author's : sudhir kumar pal

Co-Author's : Tarun Kumar

Abstract :

A large number of infections are caused by Salmonella worldwide at a remarkable pace. Salmonella enteric serotype typhi(S. typhi), gram negative bacteria (only cause disease in man) is the predominant causative agent of Typhoid fever. Typhoid fever is most common in poor and undeveloped countries of Asia and Africa. One of the major components of virulence factors produced during salmonella infection is Lipid A, which acts as a strong human immuno-modulator bacterial endotoxin. Regulation of Lipid A biosynthetic pathway occurs at second step, 2+ catalyzed by LpxC, a Zn dependent metalloamidase. Systematic Screening of natural products library database fruitfully provided us a potent lead molecule {Pubchem CID: 1788783 (ZINC02133485) ((2S)-2-[[2-[3-(4- fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid)} which actively binds (binding energy: -10.7 kJ/mol and Kd: 14.35 nM) with LpxC enzyme and could be developed into a sound and potent inhibitor of LpxC enzyme after the application of drug development and processing strategies. Wet lab experimentation is required to validate these results for further use.

Keywords :

Salmonella Typhi, LpxC, MD Simulation, Inhibitors, Raetz pathway, Lipid A

Article Details

Unique Paper ID: 81

Publication Volume & Issue: VOLUME 3 , ISSUE 2

Page(s): 47-59

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