Pharmacoinformatic Approaches to Design Natural Product Type Ligands of ABC-Transporters

Author(s): F. Klepsch, I. Jabeen, P. Chiba, G. F. Ecker

Journal Name: Current Pharmaceutical Design

Volume 16 , Issue 15 , 2010

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ABC-transporters have been recognized as being responsible for multiple drug resistance in tumor therapy, for decreased brain uptake and low oral bioavailability of drug candidates, and for drug-drug interactions and drug induced cholestasis. P-glycoprotein (ABCB1), the paradigm protein in the field, is mainly effluxing natural product toxins and shows very broad substrate specificity. Within this article we will highlight SAR and QSAR approaches for designing natural product type inhibitors of ABCB1 and related proteins as well as in silico strategies to predict ABCB1 substrates and inhibitors in order to design out undesirable drug/protein interaction.

Keywords: Natural products, ABC transporter, P-glycoprotein, in silico methods

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Article Details

Year: 2010
Page: [1742 - 1752]
Pages: 11
DOI: 10.2174/138161210791163992
Price: $65

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