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Using Structural and Mechanistic Information to Design Novel Inhibitors/Substrates of P-Glycoprotein

[ Vol. 10 , Issue. 17 ]


Freya Klepsch, Thomas Stockner, Thomas Erker, Markus Muller, Peter Chiba and Gerhard F. Ecker   Pages 1769 - 1774 ( 6 )


Design of inhibitors of P-glycoprotein still represents a challenging task for medicinal chemists. The polyspecificity of the transporter combined with the limited structural information renders rational drug design approaches rather ineffective. Within this article we will exemplify how recent insights into structure and mechanism of Pglycoprotein may aid in design of potent inhibitors. P >


Cyclic peptide P-glycoprotein inhibitor, ATP-binding cassette, Nucleotide binding domain, Transmembrane domain, Central nervous system, Blood brain barrier, Breast cancer related protein, Positron emission tomography, Single-photon emission computed tomography, Cytochrome P450-3A4, Multidrug resistance, MDR, Protein-ligand interaction fingerprints, Serotonine reuptake transporter, Dopamine transporter, Norepinephrine transporter, Structure activity relationship, Radiolabeled P-gp substrates, SAV1866, Ligand docking, Quinazolinones, GABAA receptor, Pharmacophore modeling, NCI-60 screening, ATPbinding site, Tyrosine kinases (TKs), Nilotinib, Dasatinib, Bosutinib, ATPases


Medical University of Vienna, Institute of Medical Chemistry, Waehringer Strasse 10, 1090 Wien, Austria.

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