PMID: Antibiotics (Basel). 2021 Sep 1 ;10(9). Epub 2021 Sep 1. PMID: 34572644 Abstract Title: Extracts as a Potential Antibacterial Inhibitors against Clinical Isolates of: An In-Silico-Supported In-Vitro Study. Abstract: Imipenem is the most efficient antibiotic againstinfection, but new research has shown that the organism has also developed resistance to this agent.isolates from a total of 110 clinical samples were identified by multiplex PCR. The antibacterial activity ofmultiple extracts was assessed following the GC-Mass spectra analysis. The molecular docking study was performed to investigate the binding mode of interactions of guanosine (Ethanolic extract compound) against Penicillin- binding proteins 1 and 3 of. Ten isolates ofwere confirmed to carryA andA genes. Isolates were multidrug-resistant containingand. The concentrations (0.04 to 0.125 mg mL) ofethanolic extract were very promising againstisolates. Even though imipenem (0.02 mg mL) individually showed a great bactericidal efficacy against all isolates, the in-silico study of guanosine, apioline, eugenol, and elemicin showed acceptable fitting to the binding site of thePBP1 and/or PBP3 with highest binding energy for guanosine between -7.1 and -8.1 kcal/mol respectively. Moreover, it formedπ-stacked interactions with the residue ARG76 at 4.14 and 5.6, Å respectively. These findings might support the in vitro study and show a substantial increase in binding affinity and enhanced physicochemical characteristics compared to imipenem.
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