Suggestion of a fimH Inhibitor by a Molecular Docking Method for Escherichia coli Isolated from Clinical Samples of Patients with UTI

Abstract

E. coli is one of the most important organisms that cause urinary tract infection (UTI) in more than 95% of patients with UTI. The aim of this study was to search for inhibitors of (fimH) by a docking method using computer programs and websites specialized for this purpose. Methods. This study involved 63 samples with positive E. coli collected from patients with UTI from February 2021 to October 2021 at the Iraqi hospital in Karbala. Full laboratory investigation for E. coli was made to detect FimH and predictsuitable inhibitors. The Fast Identification System VITEK-2, compact DNA extraction system, and PCR Molecular docking were used. Studies of FimH inhibitor for animals were performed as well. Results. FimH was found in most E. coli isolates, namely in 61 (96.82%) of 63 samples. The principle of the experiment is dependent on activated infection on animals with/without feeding with our drug (chamomile), and then the counted E. coli in their urine chamomile appears to be a good FimH inhibitor, with a docking score of -9.4, and to be able to reduce UTI in roughly 50 percent of rats examined. Conclusions. The chamomile was predicted as a suitable inhibitor of (fi mH) and then tested on rats. The results showed its good inhibitory properties.