HEJ Research Institute of Chemistry, International Center for Chemical & Biological Sciences, University of Karachi, Karachi, 75270, Pakistan.
Department of Clinical Pharmacy, Institute for Research & Medical Consultations, Imam Abdulrahman Bin Faisal University, PO Box 31441, Dammam, Saudi Arabia.
Future Med Chem. 2023 Sep;15(18):1703-1717. doi: 10.4155/fmc-2023-0168. Epub 2023 Oct 10.
Quinoline and acyl thiourea scaffolds have major chemical significance in medicinal chemistry. Quinoline-based acyl thiourea derivatives may potentially target the urease enzyme. Quinoline-based acyl thiourea derivatives - were synthesized and tested for urease inhibitory activity. 19 derivatives (-) showed enhanced urease enzyme inhibitory potential (IC = 1.19-18.92 μM) compared with standard thiourea (IC = 19.53 ± 0.032 μM), whereas compounds - were inactive. Compounds with OCH, OCH, Br and CH 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. The identified hits can serve as potential leads against the drug target urease in advanced studies.
喹啉和酰基硫脲骨架在药物化学中具有重要的化学意义。基于喹啉的酰基硫脲衍生物可能潜在地针对脲酶酶。合成了基于喹啉的酰基硫脲衍生物，并对其进行了脲酶抑制活性测试。与标准硫脲（IC = 19.53 ± 0.032 μM）相比，19 个衍生物（-）显示出增强的脲酶抑制潜力（IC = 1.19-18.92 μM），而化合物-则没有活性。芳环上带有 OCH、OCH、Br 和 CH 的化合物比带有不同长度烃链的化合物显示出显著更高的抑制潜力。进行了分子对接研究，以研究配体与酶的活性位点的相互作用。鉴定出的命中物可作为针对药物靶标脲酶的潜在先导化合物，用于进一步研究。
