2. Academic Validation
  3. Design, synthesis & evaluation of condensed 2H-4-arylaminopyrimidines as novel antifungal agents

Design, synthesis & evaluation of condensed 2H-4-arylaminopyrimidines as novel antifungal agents

  • Eur J Med Chem. 2014 Apr 22:77:166-75. doi: 10.1016/j.ejmech.2014.02.066.
Kishor S Jain 1,  Vijay M Khedkar 2,  Nikhilesh Arya 3,  Prasad V Rane 4,  Pratip K Chaskar 5,  Evans C Coutinho 2
Affiliations

Affiliations

  • 1 Department of Pharmaceutical Chemistry, Sinhgad Institute of Pharmaceutical Sciences, Lonavala, Pune, 410401 Maharashtra, India. Electronic address: drkishorsjain@gmail.com.
  • 2 Department of Pharmaceutical Chemistry, Bombay College of Pharmacy, Kalina, Mumbai, 400098 Maharashtra, India.
  • 3 Department of Pharmaceutical Chemistry, Sinhgad Institute of Pharmaceutical Sciences, Lonavala, Pune, 410401 Maharashtra, India.
  • 4 Department of Pharmaceutical Chemistry, RJSPM's College of Pharmacy, Moshi-Alandi Road, Pune, 412105 Maharashtra, India.
  • 5 Department of Pharmaceutical Chemistry, Vivekanand Education Society's College of Pharmacy, Chembur, Mumbai, 400074 Maharashtra, India.
PMID: 24631896 DOI: 10.1016/j.ejmech.2014.02.066
Abstract

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.

Keywords

Antifungal activity; Condensed pyrimidines; Docking; Lanosterol 14-α-demethylase; MWI; SAR.

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