Quantitative Structure-Activity Relationship Study of Curcumin Analogues as Anti-proliferative Agents of Human Prostate Cancer Cell Line (PC-3)
AbstractA quantitative structure-activity relationship (QSAR) study has been performed on curcumin analogues in order to establish the effect of variation of structural, electronic and topological properties on the anti-proliferative activity against prostate cancer cell line PC-3. The structure-based properties were calculated by the use of Hyperchem® and Dragon® softwares and the multi-linear regression equations were generated by the use of SPSS® software. Six models of PC-3 activity have been developed according to the types of QSAR descriptors. All models were cross-validated using leave-one-out (LOO) method. The models indicate that a more potent curcumin derivative against PC-3 should have smaller surface area, greater volume, lower polarizability, and fewer oxygen and multiple bonds.
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