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Chalcones and N-acylhydrazones: direct analogues? Exploratory data analysis applied to potential novel antileishmanial agents

By Daniela Gonçalves Rando, Jeanine Giarolla, Kerly Fernanda Mesquita Pasqualoto and Elizabeth Igne Ferreira

Abstract

Leishmaniasis is an important health and social problem for which there is limited effective therapy. Chalcones and N-acylhydrazones have been studied as promising antileishmanial agents in enzymatic inhibition and in vitro assays. Since these chemical classes of compounds also resemble each other structurally, it would be useful to investigate whether they share direct analogy. Exploratory data analysis was applied to a library of chalcones and nitrated N-acylhydrazones assayed against Leishmania donovani to investigate their similarity. Under the conditions applied in the present study, the two classes did not present functional or structural analogy.<br>As leishmanioses são importantes problemas sociais e de saúde pública para os quais a terapia farmacológica atual é, ainda, limitada. Chalconas e N-acilidrazonas têm sido estudadas como promissores agentes leishmanicidas tanto em ensaios in vitro quanto em ensaios de inibição de cisteíno-proteases importantes para o parasito. Uma vez que estas classes de compostos apresentam similaridade bidimensional, seria interessante estudar se estes compostos guardariam relação de analogia direta entre si. Análise exploratória de dados foi aplicada, então, à biblioteca de chalconas e N-acilidrazonas nitradas ensaiadas contra Leishmania donovani para investigar suas relações de similaridade. Os resultados mostraram que, ao menos sob as condições consideradas neste estudo, as duas classes de compostos não apresentam analogia estrutural e funcional simultaneamente, embora elas apresentem alguma similaridade estrutural

Topics: Chalconas, N-acilidrazonas, Agentes leishmanicidas, Leishmaniose, Quimiometria, Chalcones, N-acylhydrazones, Antileishmanial agents, Leishmaniasis, Chemometrics, Pharmacy and materia medica, RS1-441, Medicine, R, DOAJ:Pharmacy and materia medica, DOAJ:Medicine (General), DOAJ:Health Sciences
Publisher: Universidade de São Paulo
Year: 2010
DOI identifier: 10.1590/S1984-82502010000200019
OAI identifier: oai:doaj.org/article:3fb8253431b74cf2a11677751e39f4cb
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