Computer prediction of antiproliferative activity of steroidal drugs
2019
University of Novi Sad, Novi Sad, Serbia
Computational analysis of the effectivity of antiproliferative drugs derived from 17α-picolyl and 17(E)-picolinylidene against human ER-breast adenocarcinoma cells is presented. With these tools, it is possible to rank the compounds based on their anticancer activity, lipophilicity, ADME profile and one can predict their antiproliferative activity. These results show that the methods presented in this study will allow for better selection, synthesis and rational design of new potential drugs.
Toward steroidal anticancer drugs: Non-parametric and 3D-QSAR modeling of 17-picolyl and 17-picolinylidene androstanes with antiproliferative activity on breast adenocarcinoma cells
Strahinja Z Kovačević
Added on: 07-27-2021
[1] https://www.sciencedirect.com/science/article/abs/pii/S1093326318307174[2] https://data.jrc.ec.europa.eu/dataset/ffebe454-ed9a-47cf-8a33-8cf70c1b7d38
