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High-Speed Screening and Quantitative SAR Analysis of Human ABC Transporter ABCG2 for Molecular Modeling of Anticancer Drugs to Circumvent Multidrug Resistance
- Source: Mini Reviews in Medicinal Chemistry, Volume 7, Issue 10, Oct 2007, p. 1009 - 1018
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- 01 Oct 2007
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.
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