In Silico Repurposing of Telmisartan as an Adjunct to Ciprofloxacin for Targeting the Escherichia coli UTI Resistome: An AI-Assisted Network Pharmacology and Molecular Docking Study
Abstract
Multidrug-resistant Escherichia coli is a prevalent cause of urinary tract infections (UTIs) worldwide. The fluoroquinolone resistance of E. coli is due to the presence of chromosomal mutations, efflux pumps, and oxidative stress regulatory systems that pose a serious therapeutic challenge. Drug repurposing is a relatively fast and inexpensive method to deal with the growing problem of antimicrobial resistance. In this regard, we utilize network pharmacology and molecular docking approaches to study telmisartan, a selective antagonist of angiotensin II type 1 receptors, whose pleiotropic effects include antioxidative, anti-inflammatory activities, and agonism of peroxisome proliferator-activated receptor γ (PPARγ), as a computational combination partner to ciprofloxacin for the treatment of resistant UTIs caused by E. coli. The network of resistance genes was studied using data from the CARD, KEGG, ANTIBAC, and STRING online databases and included such genes as GyrA, ParC, ParE, AcrB, TolC, and SoxR. Molecular docking analysis was performed with the help of GeinDock Suite, where the ligand was entered in SMILES format, while the protein-ligand complex was analyzed by PLIP.
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