کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1393819 1501103 2016 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
In vitro screening of 2-(1H-imidazol-1-yl)-1-phenylethanol derivatives as antiprotozoal agents and docking studies on Trypanosoma cruzi CYP51
ترجمه فارسی عنوان
غربالگری آزمایشگاهی مشتقات 2- (1H-imidazol-1-yl) -1-phenylethanol به عنوان عوامل ضدپروتئوزوئیک و مطالعات داکینگ بر روی Trypanosoma cruzi CYP51
کلمات کلیدی
Trypanosoma cruzi; Azoles; CYP51CDMXXOWVFPMNOC-UHFFFAOYSA-N; PAKOONUBMFWMHZ-UHFFFAOYSA-N; UTLIWAZSOYEKIX-UHFFFAOYSA-N; ULTWFVLLKPONPF-UHFFFAOYSA-N; NIBZKROZQXTODK-UHFFFAOYSA-N; LHNOSDQVFGLDJT-UHFFFAOYSA-N; LXUBFWPSTMKNAD-UHFFFAOYSA-N; GCXOJSSBLOSPBR-UHFFF
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
چکیده انگلیسی


• 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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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: European Journal of Medicinal Chemistry - Volume 113, 4 May 2016, Pages 28–33
نویسندگان
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