Synthesis, structural and spectroscopic analysis, and antiproliferative activity of chalcone derivate (E)-1-(4-aminophenyl)-3-(benzo[b]thiophen-2-yl)prop‑2-en-1-one in Trypanosoma cruzi

Debora H. Almeida de Brito,Francisco W. Q. Almeida-Neto,Lyanna R. Ribeiro,Emanuel P. Magalhaes,Ramon R. P. P. Bezerra de Menezes,TiagoL. Sampaio,Alice M. C. Martins,Paulo N. Bandeira,Marcia M. Marinho,Emmanuel S. Marinho,Antonio C. H. Barreto,Pedro de Lima-Neto,Gilberto D. Saraiva,Kirley M. Canuto,Helcio S. dos Santos,Alexandre M. R. Teixeira,Nagila M. P. Silva Ricardo

Journal of Molecular Structure（2022）

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Abstract

•Structural and spectroscopic characterization of a chalcone.•NMR, FT-IR, and UV–Vis spectra were analyzed by DFT calculations.•Conformational analysis, and in vitro and in silico study were carried out.•The chalcone is more active on the trypomastigote form.•The chalcone has LC50 value very smallest than the LC50 value of the benznidazole.

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Key words

Chagas′ disease,NMR,FT-IR,UV-Vis,Molecular docking,DFT

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