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

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. Uniterms:Chalcones. N-acylhydrazones. Antileishmanial agents. Leishmaniasis. Chemometrics.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. Unitermos:Chalconas. N-acilidrazonas. Agentes leishmanicidas. Leishmaniose. Quimiometria.

The Influence of Methoxy and Ethoxy Groups on Supramolecular Arrangement of Two Methoxy-chalcones

“…5,[10][11][12][13] The versatility of class is evident from its wide-ranging biological activities; in particular, antiviral, anthelmintic, amoebicidal, antibacterial, antiprotozoal, antiulcer, cytotoxic, insecticidal, and anticancer. 13,[15][16][17][18] Also, due to its chemical structure, several chalcones have been reported to exhibit non-linear optical (NLO) properties that turn these compounds into potential functional materials. [19][20][21] A study with methoxychalcone 19 investigated the optical properties of 3,4-dimethoxy-4'-methoxychalcone and it has shown promise for nonlinear optical applications.…”