Fragment-based Qsar And Molecular Modeling Studies On A Series Of Discodermolide Analogs As Microtubule-stabilizing Anticancer Agents

dc.creatorSalum L.B.
dc.creatorDias L.C.
dc.creatorAndricopulo A.D.
dc.date2009
dc.date2015-06-26T13:34:07Z
dc.date2015-11-26T15:33:06Z
dc.date2015-06-26T13:34:07Z
dc.date2015-11-26T15:33:06Z
dc.date.accessioned2018-03-28T22:41:39Z
dc.date.available2018-03-28T22:41:39Z
dc.identifier
dc.identifierQsar And Combinatorial Science. , v. 28, n. 3, p. 325 - 337, 2009.
dc.identifier1611020X
dc.identifier10.1002/qsar.200860109
dc.identifierhttp://www.scopus.com/inward/record.url?eid=2-s2.0-66149141031&partnerID=40&md5=35a2cd479aedb0e136e0e6a8e0494278
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/91893
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/91893
dc.identifier2-s2.0-66149141031
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1262662
dc.descriptionInhibition of microtubule function is an attractive rational approach to anticancer therapy. Although taxanes are the most prominent among the microtubule-stabilizers, their clinical toxicity, poor pharmacokinetic properties, and resistance have stimulated the search for new antitumor agents having the same mechanism of action. Discodermolide is an example of nontaxane natural product that has the same mechanism of action, demonstrating superior antitumor efficacy and therapeutic index. The extraordinary chemical and biological properties have qualified discodermolide as a lead structure for the design of novel anticancer agents with optimized therapeutic properties. In the present work, we have employed a specialized fragment-based method to develop robust quantitative structure - activity relationship models for a series of synthetic discodermolide analogs. The generated molecular recognition patterns were combined with three-dimensional molecular modeling studies as a fundamental step on the path to understanding the molecular basis of drug - receptor interactions within this important series of potent antitumoral agents. © 2009 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
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dc.description325
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dc.languageen
dc.publisher
dc.relationQSAR and Combinatorial Science
dc.rightsfechado
dc.sourceScopus
dc.titleFragment-based Qsar And Molecular Modeling Studies On A Series Of Discodermolide Analogs As Microtubule-stabilizing Anticancer Agents
dc.typeArtículos de revistas


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