A rational approach for the design and synthesis of 1-acetyl-3,5-diaryl-4, 5-dihydro(1H)pyrazoles as a new class of potential non-purine xanthine oxidase inhibitors

Kunal Nepali, Gurinderdeep Singh, Anil Turan, Amit Agarwal, Sameer Sapra, Raj Kumar, Uttam C. Banerjee, Prabhakar K. Verma, Naresh K. Satti, Manish K. Gupta, Om P. Suri, K. L. Dhar

研究成果: 雜誌貢獻文章同行評審

93 引文 斯高帕斯(Scopus)

摘要

Xanthine oxidase is a complex molybdoflavoprotein that catalyses the hydroxylation of xanthine to uric acid. Fifty three analogues of 1-acetyl-3,5-diaryl-4,5-dihydro(1H)pyrazoles were rationally designed and synthesized and evaluated for in vitro xanthine oxidase inhibitory activity for the first time. Some notions about structure activity relationships are presented. Six compounds 41, 42, 44, 46, 55 and 59 were found to be most active against XO with IC50 ranging from 5.3 μM to 15.2 μM. The compound 59 emerged as the most potent XO inhibitor (IC50 = 5.3 μM). Some of the important interactions of 59 with the amino acid residues of active site of XO have been figured out by molecular modeling.
原文英語
頁(從 - 到)1950-1958
頁數9
期刊Bioorganic and Medicinal Chemistry
19
發行號6
DOIs
出版狀態已發佈 - 三月 15 2011
對外發佈

ASJC Scopus subject areas

  • 生物化學
  • 分子醫學
  • 分子生物學
  • 藥學科學
  • 藥物發現
  • 臨床生物化學
  • 有機化學

指紋

深入研究「A rational approach for the design and synthesis of 1-acetyl-3,5-diaryl-4, 5-dihydro(1H)pyrazoles as a new class of potential non-purine xanthine oxidase inhibitors」主題。共同形成了獨特的指紋。

引用此