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.
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