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Novel flurbiprofen clubbed oxadiazole derivatives as potential urease inhibitors and their molecular docking study

文献类型：期刊论文

作者Ahmad, Sajjad2; Khan, Momin2; Alam, Aftab1; Ajmal, Amar3; Wadood, Abdul3; Khan, Azim4; AlAsmari, Abdullah F.5; Alharbi, Metab5; Alshammari, Abdulrahman5; Shakoor, Abdul2
刊名RSC ADVANCES
出版日期2023-08-29
卷号13期号:37页码:25717-25728
DOI10.1039/d3ra03841f
通讯作者Khan, Momin(mominkhan@awkum.edu.pk)
英文摘要In this study, twenty eight novel oxadiazole derivatives (5-32) of the marketed available non-steroidal anti-inflammatory drug (NSAID), (S)-flurbiprofen (1), were synthesized via I2 mediated cyclo-addition reaction in better yields. The synthesized hydrazone-Schiff bases were cyclized with iodine by using potassium hydroxide as a base in DMSO solvent to obtain oxadiazole derivatives (5-32). Structures of the synthesized products were confirmed with HR-ESI-MS, 1H-NMR spectroscopy and CHN analysis. After structure confirmations all analogs were evaluated for urease (in vitro) inhibitory activity. Amongst the series, fourteen compounds 20, 26, 30, 24, 21, 16, 28, 31, 32, 7, 19, 13, 10, and 6 were found to be excellent inhibitors of urease enzyme, having IC50 values of 12 & PLUSMN; 0.9 to 20 & PLUSMN; 0.5 & mu;M, better than the standard thiourea (IC50 = 22 & PLUSMN; 2.2 & mu;M), whereas the remaining fourteen derivatives displayed good to moderate activity. The in silico study was executed to analyse the interaction between the active site of the enzyme (urease) and the produced compounds. The docking study revealed that compounds 20, 26, 30, 24, 21, 16, 28, 31, 32, 7, 19, 13, 10, and 6 had lower docking scores than the standard compound thiourea and revealed better interactions with the urease enzyme. Synthesis of flurbiprofen based oxadiazole derivatives as potent urease inhibitors.
资助项目Authors are thankful to researchers supporting project number (RSP2023R335), King Saud University, Riyadh, Saudi Arabia. ; King Saud University, Riyadh, Saudi Arabia ; [RSP2023R335]
WOS研究方向Chemistry
语种英语
WOS记录号WOS:001055965400001
出版者ROYAL SOC CHEMISTRY
资助机构Authors are thankful to researchers supporting project number (RSP2023R335), King Saud University, Riyadh, Saudi Arabia. ; King Saud University, Riyadh, Saudi Arabia
源URL[http://ir.imr.ac.cn/handle/321006/179059]  
专题金属研究所_中国科学院金属研究所
通讯作者Khan, Momin
作者单位1.Univ Malakand, Dept Chem, Chakdara 18800, Lower Dir, Pakistan
2.Abdul Wali Khan Univ, Dept Chem, Mardan 23200, Pakistan
3.Abdul Wali Khan Univ, Dept Biochem, Mardan 23200, Pakistan
4.Chinese Acad Sci, Inst Met Res, Lab Corros & Protect, 62 Wencui Rd, Shenyang 110016, Peoples R China
5.King Saud Univ, Coll Pharm, Dept Pharmacol & Toxicol, Riyadh 11451, Saudi Arabia
推荐引用方式
GB/T 7714		 Ahmad, Sajjad,Khan, Momin,Alam, Aftab,et al. Novel flurbiprofen clubbed oxadiazole derivatives as potential urease inhibitors and their molecular docking study[J]. RSC ADVANCES,2023,13(37):25717-25728.
APA Ahmad, Sajjad.,Khan, Momin.,Alam, Aftab.,Ajmal, Amar.,Wadood, Abdul.,...&Shakoor, Abdul.(2023).Novel flurbiprofen clubbed oxadiazole derivatives as potential urease inhibitors and their molecular docking study.RSC ADVANCES,13(37),25717-25728.
MLA Ahmad, Sajjad,et al."Novel flurbiprofen clubbed oxadiazole derivatives as potential urease inhibitors and their molecular docking study".RSC ADVANCES 13.37(2023):25717-25728.

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来源：金属研究所

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