Title: High-Speed Screening and Quantitative SAR Analysis of Human ABC Transporter ABCG2 for Molecular Modeling of Anticancer Drugs to Circumvent Multidrug Resistance
VOLUME: 7 ISSUE: 10
Author(s):H. Saito, H. Hirano and T. Ishikawa
Affiliation:Department of Biomolecular Engineering, Graduate School of Bioscience and Biotechnology, Tokyo Institute of Technology, 4259-B-60 Nagatsuta, Midori-ku, Yokohama, Kanagawa 226-8501, Japan.
Keywords:ABC transporter, ABCG2, BCRP, camptothecin, high-throughput screening, irinotecan, multidrug resistance, QSAR analysis
Abstract: The transport mechanism-based molecular design strategy would provide an effective tool for rationalized chemotherapy against tumors. To develop a platform for molecular modeling to circumvent multidrug resistance, we established new methods of high-speed screening for human ABCG2-drug interactions, quantitative structure-activity relationship (QSAR) analysis, and quantum chemical calculation for lead optimization.
