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

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

Volume: 16 Issue: 15

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

Affiliation:

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

Abstract: 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.

Cite this article as:

Klepsch F., Jabeen I., Chiba P. and Ecker G. F., Pharmacoinformatic Approaches to Design Natural Product Type Ligands of ABC-Transporters, Current Pharmaceutical Design 2010; 16 (15) . https://dx.doi.org/10.2174/138161210791163992