Screening of a library of 4-aryl/heteroaryl-4H-fused pyrans for xanthine oxidase inhibition: Synthesis, biological evaluation and docking studies

Ramandeep Kaur, Fatima Naaz, Sahil Sharma, Samir Mehndiratta, Manish Kumar Gupta, Preet Mohinder Singh Bedi, Kunal Nepali

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26 Citations (Scopus)


A series of 4-aryl/heteroaryl-4H-fused pyrans was synthesized via multicomponent reaction in a microwave synthesizer. All the pyrans were evaluated for in vitro xanthine oxidase inhibition. Structure-activity relationship was also established. Among the series of 108 compounds, Compound 5n was the most potent displaying remarkable inhibition against the enzyme with an IC50 value of 0.59 μM. Enzyme kinetic study was carried out for the compound 5n to determine the type of inhibition. The study revealed that the compound 5n was a mixed-type inhibitor. Molecular modelling studies were also performed to figure out the interactions of both the enantiomers of 5n with the amino acid residues of the enzyme.

Original languageEnglish
Pages (from-to)3334-3349
Number of pages16
JournalMedicinal Chemistry Research
Issue number8
Publication statusPublished - Aug 23 2015
Externally publishedYes



  • Inhibition
  • Mixed type
  • Molecular modelling studies
  • Pyrans
  • Xanthine oxidase

ASJC Scopus subject areas

  • Pharmacology, Toxicology and Pharmaceutics(all)
  • Organic Chemistry

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