Quantitative Structure-Activity Relationship Study of Curcumin Analogues as Anti-proliferative Agents of Human Prostate Cancer Cell Line (PC-3)

A 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.