Quantitative Structure-activity of Resveratrol Derivatives Anti-Colorectal Cancer
Chang Yong-hu · Hubei nongye kexue · 2013
Resveratrol compounds as promising anticancer drugs have been widely reported. 14 compounds were built on the basis of the previous conformational analysis and tubulin DAMA docking studies. The structural and physicochemical descrip- tors consist of quantum chemical parameter calculated by B3LYP / 6-31G method. The descriptors were examined using multi- ple linear regression analysis. The QSAR equation was obtained. Results showed that the energy of the lowest unoccupied molecular orbital(LUMO) was important for anticancer activity.