Long chain 1-acyl-3-arylthioureas as jack bean urease inhibitors, synthesis, kinetic mechanism and molecular docking studies

Aamer Saeed,Sajid-ur Rehman,Pervaiz Ali Channar,Fayaz Ali Larik,Qamar Abbas,Mubashir Hassan,Hussain Raza,Ulrich Flörke,Sung-Yum Seo

Journal of the Taiwan Institute of Chemical Engineers（2017）

引用 35|浏览8

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摘要

•New long chain acyl thioureas synthesized and evaluated as Ureas inhibitors.•The compound 5f with IC50 0.0391 ± 0.0028µM is the most potent inhibitor.•The 5f is non-competitive inhibitor, shows good docking score and (ADMET) assessment.

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关键词

Thioureas,Jack bean urease,Molecular docking,Pharmacokinetics,Chemo informatics,Kinetic mechanism

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