Leishmanicidal Activity and 4D Quantitative Structure–Activity Relationship and Molecular Docking Studies of Vanillin-Containing 1,2,3-Triazole Derivatives
Poliana Aparecida Rodrigues Gazolla,
Wallace Pacienza Lima,
Alex Ramos de Aguiar
et al.
Abstract:Aim: The assessment of the antileishmanial potential of 22 vanillin-containing 1,2,3-triazole derivatives against Leishmania braziliensis is reported. Materials & methods: Initial screening was performed against the parasite promastigote form. The most active compound, 4b, targeted parasites within amastigotes (IC50 = 4.2 ± 1.0 μmol l-1), presenting low cytotoxicity and a selective index value of 39. 4D quantitative structure–activity relationship and molecular docking studies provided insights into struct… Show more
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