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Development of Urease Inhibitors by Fragment-Based Dynamic Combinatorial Chemistry
ChemMedChem ( IF 3.4 ) Pub Date : 2022-08-17 , DOI: 10.1002/cmdc.202200307
Yao Wu 1 , Shuang Zhao 1 , Changming Liu 1 , Lei Hu 1
Affiliation  

Urease eraser: Fragment-based dynamic combinatorial chemistry was explored to develop novel urease inhibitors. Two iteratively evolved dynamic combinatorial libraries were generated and screened in the presence of urease based on fragments with certain activity. The best ligand-identified E16 showed strong urease inhibition and low cytotoxicity. The results of kinetics studies and molecular docking further verified its potential as an excellent lead compound.

中文翻译:

基于片段的动态组合化学开发脲酶抑制剂

脲酶擦除剂:探索了基于片段的动态组合化学以开发新型脲酶抑制剂。基于具有一定活性的片段,在脲酶存在下生成并筛选了两个迭代进化的动态组合文库。最佳配体鉴定的E16显示出强烈的脲酶抑制作用和低细胞毒性。动力学研究和分子对接的结果进一步验证了其作为优良先导化合物的潜力。
更新日期:2022-08-17
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