In Silico ADMET and Molecular Docking Study on Searching Potential Inhibitor from Bambusa Bambos for Urinary Tract Infection
Abstract
Uropathogenic bacteria, including Escherichia coli, are the primary cause of urinary tract infections (UTIs), a major health problem. Significant difficulties arise in the healthcare system when resistant microorganisms cause urinary tract infections (UTIs). Natural products have shown promise as potential sources of therapeutic agents against UTIs. In this study, the medicinal plant Bambusabambos was examined for possible inhibitors against bacteria that cause urinary tract infections. The docking studies were performed using validated software tools to predict the binding affinity and key interacting residues at the binding site. Utilizing in silico methods such as ADMET prediction and molecular docking, phytochemicals from B. bambos were screened to see if they may inhibit important enzymes implicated in the etiology of UTIs. Bambusabambos, commonly known as bamboo, is recognized in traditional medicine for its diverse pharmacological properties, prompting investigation into its potential as a source of UTI inhibitors. Several drugs with favorable pharmacokinetic properties were found by ADMET profiling, indicating promise as treatment options. Compounds with substantial binding affinities towards bacterial virulence components that are essential for the beginning and progression of UTIs were found through molecular docking studies. These results lay the groundwork for additional experimental validation and the successful development of novel therapeutic compounds from B.…
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