CAJ | 학술논문

为探究对 Caspase-3有更高抑制活性的非肽类小分子抑制剂，用“点击反应”合成了一系列1，2-苯并异噻唑-3-酮-1，4-二取代-1，2，3-三唑类衍生物．通过体外Caspase-3和Caspase-7抑制活性测试发现，化合物7c对Caspase-3有最好的抑制活性，IC50达到11.0±1.2,nmol/L．为了更好的理解这些化合物与 Caspase-3蛋白的相互作用模式，进行了分子对接实验．结果表明，化合物7c 与蛋白作用位点具有很好的结合模式，验证了该化合物具有很好的体外Caspase-3抑制活性．
위탐구대 Caspase-3유경고억제활성적비태류소분자억제제，용“점격반응”합성료일계렬1，2-분병이새서-3-동-1，4-이취대-1，2，3-삼서류연생물．통과체외Caspase-3화Caspase-7억제활성측시발현，화합물7c대Caspase-3유최호적억제활성，IC50체도11.0±1.2,nmol/L．위료경호적리해저사화합물여 Caspase-3단백적상호작용모식，진행료분자대접실험．결과표명，화합물7c 여단백작용위점구유흔호적결합모식，험증료해화합물구유흔호적체외Caspase-3억제활성．
In order to get a non-peptide inhibitor with higher inhibitory activities against caspase-3,a series of 1,2-benzisothiazol-3-one-derived 1,4-disubstituted 1,2,3-triazoles was prepared using the “click reaction” and evaluated as inhibitors against caspase-3,-7. The most potent caspase-3 inhibitor was found to be 7c with IC50-values of 11.0± 1.2,nmol/L. Moreover,in order to better rationalize the action and the binding mode of these compounds,docking studies were carried out. The result suggests that there is good binding mode between 7c and caspase-3,protein.