QSAR study of some chalcones derivatives for prediction of anti-prostate cancer activities



We performed structure-activity studies upon an extended series of 36 compounds of chalcone derivatives with anti cancer biological activities in LNCaP prostate cancer cell line, using QSAR methods that imply analysis of correlations and multiple linear regression a significant collection of six molecular descriptors was used, e.g. Edge adjacency indices, Atom-centered fragments, GETAWAY and 3D-MoRS descriptors. The obtained multi-parametric model when a different class of molecular descriptors was used led to correlation coefficient closed to 0.922 which indicate that the model was satisfactory for prediction of the anti-cancer activity of substituted chalcones and the same compounds.