Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/91893
Type: Artigo de periódico
Title: Fragment-based Qsar And Molecular Modeling Studies On A Series Of Discodermolide Analogs As Microtubule-stabilizing Anticancer Agents
Author: Salum L.B.
Dias L.C.
Andricopulo A.D.
Abstract: Inhibition 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.
Editor: 
Rights: fechado
Identifier DOI: 10.1002/qsar.200860109
Address: http://www.scopus.com/inward/record.url?eid=2-s2.0-66149141031&partnerID=40&md5=35a2cd479aedb0e136e0e6a8e0494278
Date Issue: 2009
Appears in Collections:Unicamp - Artigos e Outros Documentos

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