Open AccessSynthesis and biological evaluation of coumarin-quinone hybrids as multifunctional bioactive agents
Author(s) -
Anees Pangal,
Khursheed Ahmed
Publication year - 2022
Publication title -
admet and dmpk
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.309
H-Index - 13
ISSN - 1848-7718
DOI - 10.5599/admet.1468
Subject(s) - coumarin , chemistry , quinone , docking (animal) , ascorbic acid , candida albicans , in vitro , biological activity , protein data bank (rcsb pdb) , stereochemistry , selectivity , active site , biochemistry , antioxidant , combinatorial chemistry , organic chemistry , enzyme , biology , microbiology and biotechnology , medicine , nursing , food science , catalysis
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.