Synthesis and biological evaluation of coumarin-quinone hybrids as multifunctional bioactive agents

Abstract

We report the synthesis, structural characterization and pharmaceutical activity of four coumarin-quinone hybrids. The compounds were significantly active against Staphylococcus aureus, Pseudomonas aeoginosa and Candida albicans. Promising antioxidant activity was observed when compared to ascorbic acid. Two compounds, DTBSB and DTBSN, also showed commendable in vitro antiproliferative activities against the cells of human cancer cell lines MCF-7, MDA-MB-231, COLO-205, HT-29 and A549 along with appreciable tumor selectivity with distinct selectivity index. Molecular docking studies using cyclooxygenase-2 (PDB ID: 6COX) revealed strong binding affinities for the COX-2 active site. Moreover, ADMET properties of the synthesized compounds were determined using the pKCSM and SwissADME online tools and all the compounds had accurate pharmacokinetic profiles. Hence, the new coumarin-quinone hybrids DTBSB and DTBSN can be considered for optimization and lead development.

Synthesis, Biological Activity, and Computational Examination of New 3-Cyano-2-oxa-pyridine Derivatives

“…Based on the dose-response curves, the IC50-a measure of the concentration of a chemical that caused a 50% reduction in cell viability-was computed. 22,23 Predicting the in-silico absorption, distribution, metabolism, and excretion (ADME) properties The SwissADME online 24,25 tool was used to calculate the predicted pharmacokinetics and drug-likeness properties of the newly synthesised compounds to evaluate them as potential drug candidates.…”