Abstract：
:A series of sixteen benzoylthioureas derivatives were initially evaluated in vitro against the epimastigote form of Trypanosoma cruzi. All of the tested compounds inhibited the growth of this form of the parasite, and due to the promising anti-epimastigote activity from three of these compounds, they were also assayed against the trypomastigote and amastigote forms. ADMET-Tox in silico predictions and molecular docking studies with two main enzymatic targets (cruzain and CYP-51) were performed for the three compounds with the highest activity. The docking studies showed that these compounds can interact with the active site of cruzain by hydrogen bonds and can be coordinated with Fe-heme through the carbonyl oxygen atom of the CYP51. These findings can be considered an important starting point for the proposal of the benzoylthioureas as potent, selective, and multi-target antitrypanosomal agents.
journal_name
Parasitol Intjournal_title
Parasitology internationalauthors
Pereira PML,Camargo PG,Fernandes BT,Flores-Junior LAP,Dias LRS,Lima CHS,Pinge-Filho P,Lioni LMY,Yamada-Ogatta SF,Bispo MLF,Macedo F Jrdoi
10.1016/j.parint.2020.102225subject
Has Abstractpub_date
2021-02-01 00:00:00pages
102225eissn
1383-5769issn
1873-0329pii
S1383-5769(20)30175-6journal_volume
80pub_type
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