Institute of Biochemistry, Faculty of Medicine, University of Ljubljana, Vrazovtrg 2, 1000 Ljubljana, Slovenia.
Molecules. 2017 Jul 26;22(8):1248. doi: 10.3390/molecules22081248.
Highly efficient and rapid lead compound evaluation for estimation of inhibition parameters and type of inhibition is proposed. This is based on a single progress-curve measurement in the presence of each candidate compound, followed by the simultaneous analysis of all of these curves using the ENZO enzyme kinetics suite, which can be implemented as a web application. In the first step, all of the candidate ligands are tested as competitive inhibitors. Where the theoretical curves do not correspond to the experimental data, minimal additional measurements are added, with subsequent processing according to modified reaction mechanisms.
提出了一种高效快速的先导化合物评估方法，用于估计抑制参数和抑制类型。该方法基于在每个候选化合物存在的情况下进行单次进展曲线测量，然后使用 ENZO 酶动力学套件同时分析所有这些曲线，该套件可以作为网络应用程序实现。在第一步中，所有候选配体均被测试为竞争性抑制剂。如果理论曲线与实验数据不对应，则会添加最小的附加测量值，并根据修改后的反应机制进行后续处理。
