Chalcones and N-acylhydrazones: direct analogues? Exploratory data analysis applied to potential novel antileishmanial agents
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 s...
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Universidade de São Paulo
2010-06-01
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doaj-3fb8253431b74cf2a11677751e39f4cb2020-11-24T20:44:53ZengUniversidade de São PauloBrazilian Journal of Pharmaceutical Sciences1984-82502175-97902010-06-0146231132110.1590/S1984-82502010000200019Chalcones and N-acylhydrazones: direct analogues? Exploratory data analysis applied to potential novel antileishmanial agentsDaniela Gonçalves RandoJeanine GiarollaKerly Fernanda Mesquita PasqualotoElizabeth Igne FerreiraLeishmaniasis 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.http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1984-82502010000200019ChalconasN-acilidrazonasAgentes leishmanicidasLeishmanioseQuimiometriaChalconesN-acylhydrazonesAntileishmanial agentsLeishmaniasisChemometrics |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Daniela Gonçalves Rando Jeanine Giarolla Kerly Fernanda Mesquita Pasqualoto Elizabeth Igne Ferreira |
spellingShingle |
Daniela Gonçalves Rando Jeanine Giarolla Kerly Fernanda Mesquita Pasqualoto Elizabeth Igne Ferreira Chalcones and N-acylhydrazones: direct analogues? Exploratory data analysis applied to potential novel antileishmanial agents Brazilian Journal of Pharmaceutical Sciences Chalconas N-acilidrazonas Agentes leishmanicidas Leishmaniose Quimiometria Chalcones N-acylhydrazones Antileishmanial agents Leishmaniasis Chemometrics |
author_facet |
Daniela Gonçalves Rando Jeanine Giarolla Kerly Fernanda Mesquita Pasqualoto Elizabeth Igne Ferreira |
author_sort |
Daniela Gonçalves Rando |
title |
Chalcones and N-acylhydrazones: direct analogues? Exploratory data analysis applied to potential novel antileishmanial agents |
title_short |
Chalcones and N-acylhydrazones: direct analogues? Exploratory data analysis applied to potential novel antileishmanial agents |
title_full |
Chalcones and N-acylhydrazones: direct analogues? Exploratory data analysis applied to potential novel antileishmanial agents |
title_fullStr |
Chalcones and N-acylhydrazones: direct analogues? Exploratory data analysis applied to potential novel antileishmanial agents |
title_full_unstemmed |
Chalcones and N-acylhydrazones: direct analogues? Exploratory data analysis applied to potential novel antileishmanial agents |
title_sort |
chalcones and n-acylhydrazones: direct analogues? exploratory data analysis applied to potential novel antileishmanial agents |
publisher |
Universidade de São Paulo |
series |
Brazilian Journal of Pharmaceutical Sciences |
issn |
1984-8250 2175-9790 |
publishDate |
2010-06-01 |
description |
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. |
topic |
Chalconas N-acilidrazonas Agentes leishmanicidas Leishmaniose Quimiometria Chalcones N-acylhydrazones Antileishmanial agents Leishmaniasis Chemometrics |
url |
http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1984-82502010000200019 |
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