Chirattikan MaicheenNarumol PhosrithongJiraphun JittikoonJiraporn UngwitayatornSiam UniversityHuachiew Chalermprakiet UniversityMahidol University2019-08-232019-08-232018-03-01Chiang Mai Journal of Science. Vol.45, No.2 (2018), 1073-1086012525262-s2.0-85045633170https://repository.li.mahidol.ac.th/handle/123456789/45227© 2018, Chiang Mai University. All rights reserved. Topoisomerase I (Top I) is the molecular target for a diverse set of anticancer agents. This study was a continuation of previous work examining the Top I inhibitory activity of a series of chromone derivatives. Nine chromones were evaluated using eukaryotic DNA TOP I drug screening kit. The most potent inhibitor, chromone 20 showed greater inhibitory activity (IC50= 0.83 μM) than the previously reported chromone compounds as well as the known Top I inhibitor, camptothecin. To develop the structure-Top I inhibitory activity relationship, the 3 dimensional quantitative structure-activity relationship (3D QSAR) were performed using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA). The best CoMFA model gave cross-validated r2(q2) = 0.578 and non cross-validated r2= 0.995 while CoMSIA gave q2= 0.632, r2= 0.996. The contour maps provide the fruitful structural features which are useful for designing new compounds with higher activity.Mahidol UniversityBiochemistry, Genetics and Molecular BiologyChemistryMaterials ScienceMathematicsPhysics and AstronomyArticleSCOPUS