کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1393819 | 1501103 | 2016 | 6 صفحه PDF | دانلود رایگان |
• A number of azoles with selective activity against Trypanosoma cruzi were identified.
• The most active compound possesses 40 nM IC50.
• The biological activity of pure enantiomers was evaluated.
• Molecular docking on T. cruzi CYP51 was assessed to rationalize biological data.
Sterol 14α-demethylase (CYP51) is a key enzyme involved in the survival and virulence of many parasite protozoa, such as Trypanosoma and Leishmania species, thus representing a valuable drug target for the treatment of Kinetoplastid diseases. A set of azole-based compounds selected from an in-house compound library was in vitro screened against different human protozoan parasites. Several compounds showed selective activity against Trypanosoma cruzi, with compound 7 being the most active (IC50 = 40 nM). Given the structural similarity between the compounds here reported and known CYP51 inhibitors, a molecular docking study was performed to assess their binding with protozoal target and to rationalize the biological activity data.
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Journal: European Journal of Medicinal Chemistry - Volume 113, 4 May 2016, Pages 28–33