Identifying the Role of Quercetin Against Infectious Diarrhoea Caused by Different Pathogenic Strains of Escherichia Coli Using in Silico Method
Posted: 10 Feb 2020
Date Written: February 7, 2020
Abstract
Background: Escherichia coli (E. coli) is a diverse, coliform and commensal microorganism. It has been found to be pathogenic and non-pathogenic in nature. Predominantly, it is non-pathogenic and is an essential part of gut microbiota. However, certain strains of pathogenic E. coli such as enterotoxigenic, enteropathogenic, enteroinvasive, enterohemorrhagic and enteroaggregative strains are able to cause several life-threatening diseases such as diarrhoea in humans.
Objective: The aim of the present study was to determine the potency of the natural product quercetin against different pathogenic strains of E. coli by performing detailed in- silico studies.
Method: Different protein codes of five pathogenic strains of E. coli (enterotoxigenic, enteropathogenic, enteroinvasive, enterohemorrhagic and enteroaggregative strains) were selected and subjected to molecular docking using Schrödinger Maestro 2018-1 MM Share Version software tool against quercetin. Their binding energy levels, hydrophilicity/hydrophobicity mapping, hydrogen bonding interaction and π-π interaction were determined after performing docking studies. The different docking parameters were noted and analyzed statistically.
Result: The five strains of E. coli showed different docking patterns. Quercetin was found to be most effective against Enteropathogenic E. coli as compared to other strains. The inhibitory pattern obtained after further studies suggested that although quercetin inhibited the growth of other strains of the E. coli, it showed most of its inhibitory potential against the enteropathogenic strain.
Conclusion: The following study could be helpful in understanding the role of quercetin against different strains of E. coli which cause infectious diarrhoea along with other diseases. Thus, the present study may act as a contributing factor in combating deaths due to diarrhoea, which is a major concern in developing countries like India.
Keywords: Quercetin, E. coli, in silico, Molecular Docking, infectious diarrhoea, Natural product research
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