Chromatographic lipophilicity as a predictor of antiproliferative activity of 17-picolyl and 17-picolinylidene androstane derivatives toward prostate cancer

Abstract

The present study describes the quantitative retention - (anticancer) activity relationship analysis of a series of 17-picolyl and 17-picolinylidene androstane derivatives basedon the chromatographic data obtained by reversed-phase high performance liquid chromatography (C18-RP-HPLC) in a mobile phase consisting of 90% of methanol and 10%of water. The obtained retention factor or chromatographic lipophilicity factor (logk0.90) was correlated with the antiproliferative activity of studied compounds (IC50) towardandrogen-receptor negative prostate cancer cell line (AR-neg. PC-3). Correlation analysis was carried out by applying non-linear artificial neural networks (ANNs) method. Statistical validation showed that the obtained ANNs can successfully predict the IC50 values of structurally similar androstane derivatives.