Evaluation of synthetic aminoquinoline derivatives as urease inhibitors: in vitro, in silico and kinetic studies

被引：0

作者：

Seraj, Faiza ^{[1
]}

Khan, Khalid Mohammed ^{[1
,2
]}

Iqbal, Jamshed ^{[3
]}

Imran, Aqeel ^{[3
,4
]}

Hussain, Zahid ^{[3
]}

Salar, Uzma ^{[5
]}

Hameed, Shehryar ^{[1
]}

Taha, Muhammad ^{[2
]}

机构：

[1] Univ Karachi, HEJ Res Inst Chem, Int Ctr Chem & Biol Sci, Karachi 75270, Pakistan

[2] Imam Abdulrahman Bin Faisal Univ, Inst Res & Med Consultat, Dept Clin Pharm, POB 31441, Dammam, Saudi Arabia

[3] COMSATS Univ Islamabad, Ctr Adv Drug Res, Abbottabad 22060, Pakistan

[4] COMSATS Univ Islamabad, Dept Pharm, Lahore 54000, Pakistan

[5] Univ Karachi, Dr Panjwani Ctr Mol Med & Drug Res, Int Ctr Chem & Biol Sci, Karachi 75270, Pakistan

来源：

FUTURE MEDICINAL CHEMISTRY | 2023年 / 15卷 / 18期

关键词：

acyl thiourea derivatives; in silico studies; in vitro studies; quinoline; urease inhibition; MOLECULAR DOCKING; BIOLOGICAL EVALUATION; DESIGN; ANTIFUNGAL; CHEMISTRY; THIOUREAS; EFFICIENT;

D O I：

10.4155/fmc-2023-0168

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Background: Quinoline and acyl thiourea scaffolds have major chemical significance in medicinal chemistry. Quinoline-based acyl thiourea derivatives may potentially target the urease enzyme. Materials & methods: Quinoline-based acyl thiourea derivatives 1-26 were synthesized and tested for urease inhibitory activity. Results: 19 derivatives (1-19) showed enhanced urease enzyme inhibitory potential (IC50 = 1.19-18.92 mu M) compared with standard thiourea (IC50 = 19.53 +/- 0.032 mu M), whereas compounds 20-26 were inactive. Compounds with OCH3, OC2H5, Br and CH(3 )on the aryl ring showed significantly greater inhibitory potential than compounds with hydrocarbon chains of varying length. Molecular docking studies were conducted to investigate ligand interactions with the enzyme's active site. Conclusion: The identified hits can serve as potential leads against the drug target urease in advanced studies.

引用

页码：1703 / 1717

页数：15

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