Solution-phase microwave assisted parallel synthesis of N,N′-disubstituted thioureas derived from benzoic acid: Biological evaluation and molecular docking studies

被引：58

作者：

Rauf, Muhammad Khawar ^{[1
]}

Talib, Ammara ^{[1
]}

Badshah, Amin ^{[1
]}

Zaib, Sumera ^{[2
]}

Shoaib, Khurram ^{[2
]}

Shahid, Mohammad ^{[3
]}

Floerke, Ulrich ^{[4
]}

Imtiaz-ud-Din ^{[1
]}

Iqbal, Jamshed ^{[2
]}

机构：

[1] Quaid I Azam Univ, Dept Chem, Islamabad 45320, Pakistan

[2] COMSATS Inst Informat Technol, Ctr Adv Drug Res, Abbottabad 22060, Pakistan

[3] Fraunhofer Inst SCAI, Dept Bioinformat, Berlin, Germany

[4] Univ Paderborn, Dept Chem, Fak Nat Wissensch, D-33098 Paderborn, Germany

来源：

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY | 2013年 / 70卷

关键词：

Microwave synthesis; N; N'-Disubstituted thioureas; Single crystal XRD; Urease inhibition; Antifungal; DPPH radical scavenging; SOLVENT-FREE SYNTHESIS; DERIVATIVES; THIOHYDANTOINS; CONVENIENT;

D O I：

10.1016/j.ejmech.2013.10.012

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

An efficient and facile microwave-assisted solution phase parallel synthesis for a 26-member library of N,N'-disubstituted thiourea analogs were accomplished successfully. The reaction time for synthesis of analogs was drastically reduced from a reported 8-12 h to only 10 min. Compounds were more than 95% pure, as characterized by modern analytical techniques, i.e. H-1 & C-13 NMR and FT-IR. The solid phase structural analysis has also been performed by single crystal XRD analysis. Synthesized compounds were preliminary screened for their in vitro urease inhibition and antifungal activity. Most of the compounds were found to be potent inhibitors of urease. However, the most significant activity was found for 11 with IC50 of 1.67 mu M. The docking scores correlate with the IC50 values of inhibitors. (C) 2013 Elsevier Masson SAS. All rights reserved.

引用

页码：487 / 496

页数：10

共 39 条

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