Abstract
ABC-transporter 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.
Publication types
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Research Support, Non-U.S. Gov't
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Review
MeSH terms
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ATP Binding Cassette Transporter, Subfamily B, Member 1 / antagonists & inhibitors*
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ATP Binding Cassette Transporter, Subfamily B, Member 1 / metabolism
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ATP-Binding Cassette Transporters / antagonists & inhibitors*
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ATP-Binding Cassette Transporters / chemistry
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Antineoplastic Agents / antagonists & inhibitors*
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Biological Products / chemistry
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Biological Products / pharmacology*
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Drug Design
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Drug Resistance, Multiple / drug effects
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Drug Resistance, Multiple / genetics
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Drug Resistance, Neoplasm / drug effects
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Drug Resistance, Neoplasm / genetics
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Flavonoids / chemistry
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Ligands
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Multidrug Resistance-Associated Proteins / antagonists & inhibitors
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Multidrug Resistance-Associated Proteins / metabolism
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Neoplasm Proteins / antagonists & inhibitors
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Neoplasm Proteins / metabolism
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Sesquiterpenes / chemistry
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Steroids / chemistry
Substances
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ATP Binding Cassette Transporter, Subfamily B, Member 1
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ATP-Binding Cassette Transporters
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Antineoplastic Agents
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Biological Products
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Flavonoids
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Ligands
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Multidrug Resistance-Associated Proteins
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Neoplasm Proteins
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Sesquiterpenes
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Steroids