QSAR and docking studies on xanthone derivatives for anticancer activity targeting DNA topoisomerase IIα.

ABSTRACT: Due to the high mortality rate in India, the identification of novel molecules is important in the development of novel and potent anticancer drugs. Xanthones are natural constituents of plants in the families Bonnetiaceae and Clusiaceae, and comprise oxygenated heterocycles with a variety of biological activities along with an anticancer effect. To explore the anticancer compounds from xanthone derivatives, a quantitative structure activity relationship (QSAR) model was developed by the multiple linear regression method. The structure-activity relationship represented by the QSAR model yielded a high activity-descriptors relationship accuracy (84%) referred by regression coefficient (r(2)=0.84) and a high activity prediction accuracy (82%). Five molecular descriptors - dielectric energy,

SUBMITTER: Alam S 

PROVIDER: S-EPMC3916431 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature