| Literature DB >> 19193010 |
Janaina Fernandes1, Cerli R Gattass.
Abstract
Multidrug resistance-associated protein 1 (MRP1/ABCC1) is a very promiscuous transporter. Herein we used topological polar surface area (TPSA), a descriptor defined as the sum of surfaces of polar atoms in a molecule, to analyze drug transport by MRP1. We suggested that compounds with high TPSA are transported while those with low TPSA are not. The conjugation to GSH increases TPSA values favoring transport. A strong correlation between TPSA and transport properties (K(m)) was also found.Entities:
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Year: 2009 PMID： 19193010 DOI： 10.1021/jm801389m
Source DB: PubMed Journal: J Med Chem ISSN： 0022-2623 Impact factor: 7.446