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• W4200236056 abstract "There is an urgent need for new inhibitors against T. cruzi, a protozoal infection that affects about 8 million people annually around the world. In this study, we describe the synthesis, characterization, and the inhibitory effects of the chalcone (E)-1-(4-aminophenyl)-3-(benzo[b]thiophen-2-yl)prop‑2-en-1-one (BNZTHP) against T. cruzi Y strain forms. The molecular structure of this compound was characterized by spectroscopic techniques, and its potential against T. cruzi was evaluated by in vitro assays and in silico analysis. The structural data analyses allowed drawing the molecular structure of the BNZTHP chalcone. Computational quantum chemical calculations provided the normal modes of vibrations, the global chemical reactivity parameters, the most probable regions for electrophilic and nucleophilic reactive attacks, and the singlet states for BNZTHP chalcone. Regarding the activity against T. cruzi the compound exhibited more active on trypomastigote than epimastigote forms with lower toxic on LLC-MK2 host cells. Furthermore, it presented a more powerful inhibitory effect than benznidazole. From the molecular docking studies showed that trypomastigote forms were able to interact with the cruzain, trypanothione reductase, and TcGAPDH enzymes, indicating good affinity toward the active pocket. These results bring attention to the BNZTHP chalcone as candidate for the development of new option for the treatment of Chagas disease." @default.
• W4200236056 created "2021-12-31" @default.
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• W4200236056 date "2022-04-01" @default.
• W4200236056 modified "2023-10-16" @default.
• W4200236056 title "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" @default.
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• W4200236056 doi "https://doi.org/10.1016/j.molstruc.2021.132197" @default.
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