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Structure–activity relationships of a series of tariquidar analogs as multidrug resistance modulators

Structure–activity relationships of a series of tariquidar analogs as multidrug resistance modulators

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GLOBISCH, Christoph, Ilza K. PAJEVA, Michael WIESE, 2006. Structure–activity relationships of a series of tariquidar analogs as multidrug resistance modulators. In: Bioorganic & Medicinal Chemistry. 14(5), pp. 1588-1598. ISSN 0968-0896. eISSN 1464-3391

@article{Globisch2006-03Struc-38011, title={Structure–activity relationships of a series of tariquidar analogs as multidrug resistance modulators}, year={2006}, doi={10.1016/j.bmc.2005.10.058}, number={5}, volume={14}, issn={0968-0896}, journal={Bioorganic & Medicinal Chemistry}, pages={1588--1598}, author={Globisch, Christoph and Pajeva, Ilza K. and Wiese, Michael} }

<rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bibo="http://purl.org/ontology/bibo/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:xsd="http://www.w3.org/2001/XMLSchema#" > <rdf:Description rdf:about="https://kops.uni-konstanz.de/rdf/resource/123456789/38011"> <bibo:uri rdf:resource="https://kops.uni-konstanz.de/handle/123456789/38011"/> <dc:contributor>Wiese, Michael</dc:contributor> <dc:contributor>Globisch, Christoph</dc:contributor> <dc:language>eng</dc:language> <dcterms:abstract xml:lang="eng">Tariquidar (XR9576) analogs, modulators of cancer multidrug resistance (MDR), were subjected to QSAR and 3D-QSAR analyses. The structural features contributing to anti-MDR activity were identified by the Free-Wilson analysis and pharmacophore search using Hoechst 33342 as a template. 3D-QSAR CoMFA and CoMSIA models were derived and tested. The best models yielded an external predictivity of 0.66-0.75 squared correlation coefficient and outlined HB-acceptor, steric, and hydrophobic fields as the most important 3D properties. On the basis of the QSAR and 3D-QSAR analyses it was suggested that the strong inhibitory potency of the compounds studied is related to the presence of a bulky aromatic ring system with a 3rd positioned heteroatom toward the anthranilamide nucleus in the opposite end of the tetrahydroquinoline group. The results can help in directing the rational design of new generations of potent P-glycoprotein MDR modulators.</dcterms:abstract> <dc:contributor>Pajeva, Ilza K.</dc:contributor> <dcterms:title>Structure–activity relationships of a series of tariquidar analogs as multidrug resistance modulators</dcterms:title> <dc:creator>Wiese, Michael</dc:creator> <dc:creator>Globisch, Christoph</dc:creator> <dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2017-03-16T10:26:35Z</dcterms:available> <dc:creator>Pajeva, Ilza K.</dc:creator> <dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2017-03-16T10:26:35Z</dc:date> <dcterms:issued>2006-03</dcterms:issued> </rdf:Description> </rdf:RDF>

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