As Potential Anti-microbial Agents, Design, Synthesis, Biological, and Docking Studies of Novel Coumarin Analogues

Abstract

The objective of the present work is to synthesize coumarin derived aldehydes and study their anti-bacterial in particular. Thus, an attempt has been made in this direction. As expected, coumarin derived aldehydes exhibited anti-bacterial activity in which some of the synthesized compound shown highly significant activity as compared to the standard employed for the study. synthesized are docked for binding affinity using PyRx software. The protein used for the docking are Staphylococcus aureus, Escheria coli. Among the synthesized docked compounds COU5, COU3, and COU6 had shown the more binding affinity against the standard. computational study of all synthesized compounds was performed to determine the surface area and other physicochemical properties in the direction of Lipinski's rules. The most active compounds COU1- COU6 follow all of Lipinski's rules. All the highest active derivatives have a number of hydrogen bonding acceptor groups ranging between 3 to 5, and nonhydrogen bonding donors. Also, molecular weights range between 300 to 350 and log(P) values range between 0.00 to 2.41, and all these values agree with Lipinski's rules such as HB donor group, HB acceptor groups # 10, M. Wt < 500 and log(P) < 5. The compounds (COU1-COU6) synthesized are screened for antimicrobial activity using disc plate method at concentration 25, 50 and 100 μg/ml using Gram +ve and Gram –ve strains. The strains used for the screening are Staphylococcus aureus, Escheria coli. Among the synthesized screened compounds COU5 and COU6 had shown the potent activity against the standard compounds.