Computational approach confirming the therapeutic potential of selected mannose derivatives against fimH of Uropathogenic E. coli
Keywords:
Urinary tract infections, Escherichia coli, fimH, Computational approachAbstract
Urinary tract infection (UTI), mainly caused by uropathogenic Escherichia coli (UPEC), is a dreaded infectious disease globally. FimH is a key virulence factor in UTI pathogenesis and inhibition of FimH function can be an effective way to disarm the UPEC bacteria and can act as a vital target in the development of the non-antibiotic mediated approach to treat UTIs. The present study was undertaken to identify phytochemicals from the cranberry and bearberry plant parts and to evaluate their pharmacological properties. The pharmacological properties of those compounds were predicted using a computational approach. The compounds with similar pharmacophores with that of known fimH inhibitors were selected. After that, further studies were performed to determine their drug likeness, inhibitory potential, and IC50 values. The results were promising, and few compounds were found to have high drug likeness and a potent inhibitor of fimH with good IC50 value. Thus, the present study reports few novel fimH inhibitors from selected plant sources and is significant owing to their therapeutic implication as a non-antibiotic mediated therapy for UTI.
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