3D-QSAR and molecular docking studies on 23-hydroxybetulinic acid derivatives with antitumor activity / 中国药学杂志

OBJECTIVE: To formulate the three-dimensional quantitative structure-activity relationship (3D-QSAR) model of 23-hydroxybetulinic acid derivatives with promising antitumor activity and study their molecular docking with topoisomerase I (Topo I).