Abstract

COMPUTATIONAL INVESTIGATION AND FACILE SYNTHESIS OF BIOLOGICALLY ACTIVE NEW CLASS OF N-SUBSTITUTED CYCLIC IMIDES OF COUMARIN HYBRIDS AS POTENT ANTIMICROBIAL AND ANTI-CANCER AGENTS

Shrinivas Koparde, Dr. Kallappa M. Hosamani*, Delicia A. Barretto,
Shrinivas D. Joshi

ABSTRACT

A series of novel N-substituted cyclic imides of coumarin hybrids (2a- 2h) have been synthesized and screened for antibacterial and antifungal activities. All the newly synthesized compounds were evaluated for antibacterial activity against one Gram-positive (Staphylococcus aureus) and one Gram-negative (Escherichia coli) bacteria and antifungal activity against pathogenic strains of Candida albicans and Aspergillus flavus by Agar-well Diffusion Method. The title compounds (2a), (2d) and (2f) showed potent antibacterial activity against pathogenic strains used in the study. Compounds (2a) and (2f) showed potent antifungal activity against A. flavus and C. albicans pathogenic strains. The in vitro cytotoxicity was evaluated against Hela (cervical cancer) cell line by using MTT colorimetric assay. The compound (2d) (R = 6-OCH3) was found to be potent anticancer among the series. Furthermore, Molecular docking study performed for all the synthesized compounds with S. Aureus gyrase complex with Ciprofloxacin and DNA (PDB ID : 2XCT) and results were obtained, the compounds (2c), (2f), (2g) and (2h) have higher C score values than Ciprofloxacin standard drug. All the newly synthesized analogues were characterized by IR, 1H, 13C NMR and GC-MS.

Keywords: Coumarin; Antibacterial; Antifungal; Anticancer; Molecular Docking.