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Type: Artigo
Title: Synthesis, Antiproliferative Activities, And Computational Evaluation Of Novel Isocoumarin And 3,4-dihydroisocoumarin Derivatives
Author: Guimardes
Keller G.; de Freitas
Rossimiriam P.; Ruiz
Ana L. T. G.; Fiorito
Giovanna F.; de Carvalho
Joao E.; da Cunha
Elaine F. F.; Ramaiho
Teodorico C.; Alves
Rosemeire B.
Abstract: A series of novel isocoumarin derivatives were synthesized using Castro-Stephens cross-coupling. Moreover, novel 3,4-dihydroisocoumarin derivatives were obtained by catalytic hydrogenation of the corresponding isocoumarin precursors. The antiproliferative activity of all compounds was evaluated in vitro in different tumor cells. Furthermore, docking calculations were performed for the kallikrein 5 (KLK5) active site to predict the possible mechanism of action of this series of compounds. Theoretical findings indicate that the 3,4-dihydroisocoumarin derivative 10a forms hydrogen bonds with Ser190 and Gln192 residues of KLK5. This derivative was the most active compound in the series with potent antiproliferative activity and high selectivity index (SI > 378.79) against breast cancer cells (MCF-7, GI(50) = 0.66 mu g mL(-1)) This compound represents a promising matrix for developing new antiproliferative agents. (C) 2016 Elsevier Masson SAS. All rights reserved.
Subject: Isocoumarin
Castro-stephens Reaction
Editor: Elsevier France-Editions Scientifiques Medicales Elsevier
Rights: fechado
Identifier DOI: 10.1016/j.ejmech.2016.01.051
Date Issue: 2016
Appears in Collections:Unicamp - Artigos e Outros Documentos

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