An In-silico Study Showing Potentials of Selected Anthocyanin Derivatives against Uropathogenic E. coli Adhesin Protein
Abhishek Chowdhury *
Department of Life Science & Bioinformatics, Assam University, Silchar, Assam-788011, India.
Manabendra Dutta Choudhury
Department of Life Science & Bioinformatics, Assam University, Silchar, Assam-788011, India and Bioinformatics and Computational Biology Centre, Assam University, Silchar, Assam-788011, India.
Monjur Ahmed Laskar
Bioinformatics and Computational Biology Centre, Assam University, Silchar, Assam-788011, India.
*Author to whom correspondence should be addressed.
Abstract
Urinary tract infections (UTI) caused primarily by uropathogenic Escherichia coli (UPEC) are indeed an extremely contagious disease that affects people all over the world. FimH is a major virulence component in UTI pathogenesis, and inhibiting FimH function can be an efficient means to disarm UPEC bacteria, as well as a crucial target in the development of non-antibiotic mediated UTI treatment options. The goal of this study was to identify anthocyanins in plant parts and assess
their pharmacological characteristics. A computational methodology was used to predict the pharmacological characteristics of such substances. Compounds with pharmacophores comparable to those of known fimH inhibitors were chosen. Following that, additional research was carried out to assess their drug similarity, inhibitory potential, and IC50 values. Thus, the present study reports few novel fimH inhibitors derived from the selected plant’s phytochemicals, and is significant owing to their therapeutic implication as a non-antibiotic mediated therapy for UTI.
Keywords: Urinary tract infections, Escherichia coli, fimH, computer aided drug design