کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1398942 | 1501139 | 2014 | 10 صفحه PDF | دانلود رایگان |
• A novel scaffold designed for antifungal activity.
• Design based on favorable docking interactions at active site of fungal CYP51.
• Good antifungal activity against three pathogenic fungal strains.
• Good correlation between docking scores and antifungal activity; SAR been proposed.
A small, focussed library of condensed 2H-4-arylaminopyrimidines, with 3-diversity points, based on an initial design by molecular docking study of this scaffold at the active site of the fungal enzyme of cytochrome P450 family, lanosterol 14α-demethylase (CYP51) was synthesized through a one-pot green chemical synthetic protocol. The screening of the synthesised compounds for antifungal activity against Candida albicans, Aspergillus fumigatus & Aspergillus niger revealed activity in many of the compounds as comparable to that of fluconazole. Based on the antifungal activity and physicochemical property data of these derivatives, a meaningful SAR has been proposed.
A library of designed condensed 2H-4-arylaminopyrimidines, synthesized under microwave irradiation showed antifungal activty comparable to that of fluconazole and a meaningful SAR has been developed.Figure optionsDownload as PowerPoint slide
Journal: European Journal of Medicinal Chemistry - Volume 77, 22 April 2014, Pages 166–175