Synthesis, in vitro Antimicrobial Activity, and Docking Studies of some Pyrano[2,3-c] Pyrazole Derivatives

Abstract

The hospital environment favors the circulation of drug-resistant bacteria. The researcher has oriented this public health problem to find an ideal tool for better patient management. Therefore, this study aims to assess the biological activity of some synthetic molecules against multidrug-resistant bacterial isolates from patients suspected of nosocomial infections. After synthesizing and characterizing five targeted compounds 5(a-e), a sensitivity test is carried out to screen their antibacterial activity via microbiological methods (diffusion and microdilution). The forgoing results confirmed that (5c) compound has better potential against all studied strains with a minimum inhibitory concentration (MIC) that varies between 6.25 - 50 mg/mL. The lowest MIC values were observed with Klebsiella pneumonia, while the greatest value of the same parameter was obtained with L. monocytogenes. On the other side, in silico pharmacological studies like ADME and docking data were implemented for the selected compounds 5(a-e) to comprehensively understand the plausible mode of interaction with the target. Docking results indicated that the compounds 5c and 5b have considerable binding energy towards the active site of Escherichia coli MurB and S. aureus DNA gyrase B. In vitro and in silico data have confirmed the antimicrobial potentials of the five synthetic compounds; this data can be added and supported the literature on the bioactivity of pyrano[2,3-c] pyrazole.