REGRESSION ANALYSIS AND DOCKING STUDIES OF COUMARIN BASED COMPOUNDS AS ANTI-CANCER AGENTS

Abstract

In present study, QSAR studies of Coumarin based compounds as anticancer agents is discussed and aimed at finding the equation for Coumarin based molecules as anticancer agent. At the beginning, the molecules whose biological properties are known are well-thought-out as a known set for regression analysis model building purpose. The descriptors were calculated for known set of Coumarin based compounds. Novel substituted Coumarin based molecules were designed improved and their descriptors are calculated. Moreover, the regression analysis model is used to determine the biological activities of these new molecules. On a systematic study, it is possible to enhance the activities of the molecules by using regression and docking methodology.