Synthesis, Anticancer, Antimicrobial Evaluation, in Silico Molecular Docking and POM ‎Analyses of New 4,7- dimethyl Coumarin Containing Sulfonamides

Abstract

A series of new coumarin sulfonamide derivatives were synthesized and characterized by FTIR, ¹H-NMR, ¹³C-NMR, and mass spectroscopies. All of these compounds were evaluated for their anti-cancer potential against two cancer cell lines. CaCo-2 and HepG2, whereby HdFn acted as normal cell lines, and compared two predetermined reference drugs (Xeloda and Sorafenib). Compound [M4] displayed a more potent anticancer activity against the two cancer cell lines (CaCo-2 and HepG2) than the standard drugs and with higher selectivity (according to the selectivity index SI, which should be >1.). The selectivity index (SI) for the reference drug Xeloda was (1.7, 1.3, and 14) after 24 h, 48 h, and 72 h, respectively, for compound [M4]; however, the SI was (10, 14, and 27) after the same time allotments. Most synthesized compounds [M1-M6] found that the SI value for these compounds on the colon cancer cell line was greater than the SI value of Xeloda as a reference drug. The antibacterial effect of the synthesized compounds was also tested on four bacterial strains and Candida albicans as a fungal strain. The synthesized compounds exhibited higher antifungal activity toward Candida albicans and stronger antibacterial activity than both standard drugs, especially toward Bacillus subtilis and Staphylococcus aureus. Molecular docking and POM analysis were used to identify the potential pharmacophore sites.