Synthesis, screening and docking of fused pyrano[3,2-d]pyrimidine derivatives as xanthine oxidase inhibitor

Manroopraj Kaur, Amandeep Kaur, Suhani Mankotia, Harbinder Singh, Arshdeep Singh, Jatinder Vir Singh, Manish Kumar Gupta, Sahil Sharma, Kunal Nepali, Preet Mohinder Singh Bedi

研究成果: 雜誌貢獻文章同行評審

24 引文 斯高帕斯(Scopus)

摘要

In view of developing effective xanthine oxidase (XO) enzyme inhibitors, a series of 100 pyrano[3,2-d]pyrimidine derivatives was synthesized and evaluated for its in vitro XO enzyme inhibition. Structure activity relationship has also been established. Among all the synthesized compounds, 4d, 8d and 9d were found to be the most potent enzyme inhibitors with IC50 values of 8μM, 8.5μM and 7μM, respectively. Compound 9d was further investigated in enzyme kinetic studies and the Lineweaver-Burk plot revealed that the compound 9d was mixed type inhibitor. Molecular properties of the most potent compounds 4d, 8d and 9d, have also been calculated. Docking study was performed to investigate the recognition pattern between xanthine oxidase and the most potent XO inhibitor, 9d. The study suggests that 9d may block the activity of XO sufficiently enough to prevent the substrate from binding to its active site.
原文英語
頁(從 - 到)14-28
頁數15
期刊European Journal of Medicinal Chemistry
131
DOIs
出版狀態已發佈 - 一月 1 2017
對外發佈

ASJC Scopus subject areas

  • 藥理
  • 藥物發現
  • 有機化學

指紋

深入研究「Synthesis, screening and docking of fused pyrano[3,2-d]pyrimidine derivatives as xanthine oxidase inhibitor」主題。共同形成了獨特的指紋。

引用此