S-allylCysteine Ester/Caffeic Acid Amide Hybrids as Promising Antiprotozoal Candidates: Synthesis, Biological Evaluation and Molecular Modeling Studies
Abstract In order to overcome the challenges of discovering new antiprotozoal drugs, we synthesized a new class of hybrids based on S-allylCysteine Ester/Caffeic Acid Amide and evaluated four of them against Trypanosoma cruzi and Plasmodium falciparum. Hybrid 6 exhibited good activity on T. cruzi wi...
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| Format: | Book |
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Universidade de São Paulo,
2022-12-01T00:00:00Z.
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| LEADER | 00000 am a22000003u 4500 | ||
|---|---|---|---|
| 001 | doaj_6df094e6aa194fd0a5c6460b7bf738c1 | ||
| 042 | |a dc | ||
| 100 | 1 | 0 | |a Wilson Cardona-G |e author |
| 700 | 1 | 0 | |a Sara Maria Robledo |e author |
| 700 | 1 | 0 | |a Laura Juliana Prieto |e author |
| 700 | 1 | 0 | |a Andrés Felipe Yépes |e author |
| 245 | 0 | 0 | |a S-allylCysteine Ester/Caffeic Acid Amide Hybrids as Promising Antiprotozoal Candidates: Synthesis, Biological Evaluation and Molecular Modeling Studies |
| 260 | |b Universidade de São Paulo, |c 2022-12-01T00:00:00Z. | ||
| 500 | |a 2175-9790 | ||
| 500 | |a 10.1590/s2175-97902022e20822 | ||
| 520 | |a Abstract In order to overcome the challenges of discovering new antiprotozoal drugs, we synthesized a new class of hybrids based on S-allylCysteine Ester/Caffeic Acid Amide and evaluated four of them against Trypanosoma cruzi and Plasmodium falciparum. Hybrid 6 exhibited good activity on T. cruzi with an EC50 value of 5.45 µM, whereas hybrid 3 was active over P. falciparum with an EC50 of 18.08 µM. All hybrids displayed a good selectivity index on P. falciparum. Molecular docking computations indicated that several hybrids have good binding affinities towards the protozoa related enzymes (Cruzipain or Falcipain-2) when compared against current inhibitors. In silico studies showed that conjugates 1-3 and 6 fulfilled optimal ADME characteristics, suggesting them as safe alternatives for oral treatment of protozoal infections. | ||
| 546 | |a EN | ||
| 690 | |a S-allyl cysteine | ||
| 690 | |a Caffeic acid | ||
| 690 | |a Hybrid | ||
| 690 | |a Chagas disease | ||
| 690 | |a Malaria disease | ||
| 690 | |a Modelling studies | ||
| 690 | |a Pharmacy and materia medica | ||
| 690 | |a RS1-441 | ||
| 655 | 7 | |a article |2 local | |
| 786 | 0 | |n Brazilian Journal of Pharmaceutical Sciences, Vol 58 (2022) | |
| 787 | 0 | |n http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1984-82502022000100790&tlng=en | |
| 787 | 0 | |n https://doaj.org/toc/2175-9790 | |
| 856 | 4 | 1 | |u https://doaj.org/article/6df094e6aa194fd0a5c6460b7bf738c1 |z Connect to this object online. |