Journal
JOURNAL OF MEDICINAL CHEMISTRY
Volume 52, Issue 4, Pages 1214-1218Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jm801389m
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- ONCO/FAF
- FAPERJ
- FfNEP/NQTN
- CAPES/PNPD
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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.
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