Design, Synthesis, Molecular Docking, and In Vitro Antiproliferative Evaluation of QuinolinePyranocoumarin Hybrids as Potent DNA Topoisomerase II Inhibitors
- Title
- Design, Synthesis, Molecular Docking, and In Vitro Antiproliferative Evaluation of QuinolinePyranocoumarin Hybrids as Potent DNA Topoisomerase II Inhibitors
- Creator
- Durgi, Amruta K.; Vijayan, Ajesh; Krishnan, Aravind
- Description
- A series of novel quinolinepyranocoumarin hybrids incorporating quinoline and coumarin moieties were designed, synthesized, and evaluated as DNA topoisomerase II inhibitors. The key scaffold, 2-amino-5-oxo-4-(quinolin-4-yl)-4,5-dihydropyrano[3,2-c]chromene-3-carbonitrile, was obtained via a one-pot reaction in 92% yield at room temperature. Ten derivatives (4a4j) were characterized by 1H/13C NMR and mass spectrometry. Docking studies against TOPO II? (PDB ID: 5GWK) revealed compound 4b with the best binding affinity (?8.02kcal/mol), outperforming doxorubicin. In vitro cytotoxicity on MCF-7 and K562 cells showed lower IC50 values for MCF-7, and cell cycle analysis indicated G2/M arrest consistent with TOPO II inhibition. 2026 Wiley-VCH GmbH.
- Source
- ChemistrySelect;Volume;11;Issue;1;Article No.;e02953;
- Date
- 01-01-2026
- Publisher
- John Wiley and Sons Inc
- Subject
- heterocyclic compounds; molecular docking; multicomponent synthesis; pyrano[3,2-c]chromene; quinoline
- Coverage
- Durgi A.K., Department of Chemistry, Christ University, Bangalore, India; Vijayan A., Department of Chemistry, Christ University, Bangalore, India; Krishnan A., Department of Chemistry, St. Berchmans College, Kottayam, India
- Rights
- Restricted Access; Hardcopy may be available in the library
- Relation
- ISSN: 23656549;
- Format
- online
- Language
- English
- Type
- Article
Collection
Citation
Durgi, Amruta K.; Vijayan, Ajesh; Krishnan, Aravind, “Design, Synthesis, Molecular Docking, and In Vitro Antiproliferative Evaluation of QuinolinePyranocoumarin Hybrids as Potent DNA Topoisomerase II Inhibitors,” CHRIST (Deemed To Be University) Institutional Repository, accessed June 20, 2026, https://archives.christuniversity.in/items/show/21817.