DESIGN AND SYNTHESIS OF SOME NOVEL 1,2,4-TRIAZOLE-3-YLMERCAPTO DERIVATIVES AS POTENTIAL ANTI-CANDIDA AGENTS

被引：3

作者：

Pricopie, Andreea-Iulia ^{[1
]}

Vlase, Laurian ^{[2
]}

Pirnau, Adrian ^{[3
]}

Vodnar, Dan Cristian ^{[4
]}

Marc, Gabriel ^{[1
]}

Nastasa, Cristina ^{[1
]}

Borcea, Anca-Maria ^{[1
]}

Ionut, Ioana ^{[1
]}

Tiperciuc, Brindusa ^{[1
]}

Oniga, Ovidiu ^{[1
]}

机构：

[1] Iuliu Hatieganu Univ Med & Pharm, Dept Pharmaceut Chem, 41 Victor Babes St, Cluj Napoca 400012, Romania

[2] Iuliu Hatieganu Univ Med & Pharm, Dept Pharmaceut Technol & Biopharmaceut, 41 Victor Babes St, Cluj Napoca 400012, Romania

[3] Natl Inst Res & Dev Isotop & Mol Technol, 67-103 Donath St, Cluj Napoca 400293, Romania

[4] Univ Agr Sci & Vet Med, Dept Food Sci & Technol, 3-5 Manastur St, Cluj Napoca 400372, Romania

来源：

FARMACIA | 2018年 / 66卷 / 06期

关键词：

antifungal; azole derivatives; molecular docking; lanosterol; 14; alpha-demethylase; ANTIFUNGAL; INHIBITION;

D O I：

10.31925/FARMACIA.2018.6.4

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

In the context of the alarming incidence of the multidrug-resistant Candida sp. based infections, a new series of 1,2,4-triazole-3-yl-mercapto derivatives were synthesized and evaluated as potential antifungal agents. The affinity of the synthesized compounds towards the catalytic site of the lanosterol 14a-demethylase (CYP51) was evaluated in silico, by molecular docking studies. The antifungal activity of the titled compounds was evaluated in vitro against pathogenic strains of Candida sp., by measuring the minimum inhibitory concentration (MIC) and the minimum fungicidal concentration (MFC). The data obtained from the docking simulation showed that the new synthesized compounds might act as noncovalent inhibitors of fungal CYP51. The results of the in vitro antifungal screening support their potential anti-Candida activity, compound 3b exhibiting a similar effect as fluconazole, used as antifungal reference drug.

引用

页码：948 / 958

页数：11

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