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2000
Volume 13, Issue 8
  • ISSN: 1570-1808
  • E-ISSN: 1875-628X

Abstract

ATP-dependent xenobiotic efflux transporter P-glycoprotein (P-gp) limits the cellular accumulation of many therapeutically important drug molecules. The most prominent of these are CNS active compounds and the potential chemotherapeutic agents. Co-administration of chemotherapeutic agents with modulators of P-glycoprotein has been advocated as a promising concept to circumvent drug resistance in tumor cells. Several pharmacoinformatics strategies to investigate ligand-P-glycoprotein interactions profiles revealed that these are promiscuous, multi-site and conformational dependent processes that take place in asymmetric 3D space within the binding cavity of P-gp. Therefore, avoiding stereoselectivity associated with ligand-protein interaction may compromise efficiency of the QSAR and other modeling strategies. Within this article, several SAR and QSAR strategies in combination with molecular docking studies on stereoisomeric inhibitors of P-gp will be highlighted to further explore the stereoselectivity of ligand-P-glycoprotein interaction.

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/content/journals/lddd/10.2174/1570180813999160429112620
2016-10-01
2025-07-04
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/content/journals/lddd/10.2174/1570180813999160429112620
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  • Article Type:
    Research Article
Keyword(s): MDR transporter; molecular docking; P-glycoprotein; pharmacophore; QSAR; stereoselectivity
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