期刊
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
卷 155, 期 -, 页码 590-595出版社
ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER
DOI: 10.1016/j.ejmech.2018.06.009
关键词
Xanthine oxidase inhibitors; 2-Mercapto-6-phenylpyrimidine-4-carboxylic acids; Molecular modeling; Synthesis; Structure-activity relationship
资金
- National Natural Science Foundation of China [81673293, 81602969, 30973614]
- Doctoral Research Funding of Liaoning Province [201601144]
- Education Fund Item of Liaoning Province [201610163L12]
- Science and Technology Research Project of Education Department of Liaoning Province [201610163L10]
- Shenyang Science & Technology Bureau Item [F12-277-1-23, F17-231-1-42]
- Career Development of Junior Faculty of Shenyang Pharmaceutical University [ZQN2015005]
A series of 2-mercapto-6-phenylpyrimidine-4-carboxylic acid derivatives (7a-c, 8a-e, 9a-e and 10a-e) as novel xanthine oxidase inhibitors were designed based on molecular docking, and synthesized by a new method using ketoenol acids and thiourea as the starting materials. In vitro activity assay indicated that most of the designed compounds displayed submicromolar inhibitory potency. Specifically, compound 9b had the most potent enzyme inhibitory activity with the IC50 at 0.132 mu M. Steady-state enzyme kinetics indicated that 9b behaved as a mixed-type inhibitor for XO. (C) 2018 Elsevier Masson SAS. All rights reserved.
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