Prediction model of human ABCC2/MRP2 efflux pump inhibitors: a QSAR study

• Published in: Molecular diversity Vol. 25; no. 2; pp. 741 - 751
• Main Authors: Le, Minh-Tri, Phan, Thien-Vy, Tran-Nguyen, Viet-Khoa, Tran, Thanh-Dao, Thai, Khac-Minh
• Format: Journal Article
• Language: English
• Published: Cham Springer International Publishing 01.05.2021; Springer Nature B.V; Springer Verlag
• Subjects: Biochemistry; Biomedical and Life Sciences; Chemical Sciences; Life Sciences; Multidrug resistant organisms; Organic Chemistry; Original Article; Pharmacy; Polymer Sciences; Virtual screening; Regression; Inhibitor; ABCC2; QSAR; Classification

The overexpression of ABCC2/MRP2, an ATP-binding cassette transporter, contributes to multidrug resistance in cancer cells. In this study, a quantitative structure–activity relationship (QSAR) analysis on ABCC2 inhibitors has been carried out, aiming to establish a computational prediction model for...