Zhichao Zhang, Yan Zhao, Ting Song, Yubo Liu, Xiangqian Li, Pengchen Su and Shenghui Xie Study of Binding Thermodynamics in the Optimization of BH3 Mimetics Chemical Biology & Drug Design 82
Isothermal titration calorimetry was used to evaluate the optimization of B-cell lymphoma 2 homology domain 3-mimetics (compounds 1–6) from a thermodynamic perspective. Owing to 1–6 overcoming enthalpy-entropy compensation, the affinities of them improved gradually. Comparing 2 with 1, the enthalpy gain indicated the formation of an additional hydrogen bond to myeloid cell leukemia sequence 1 protein.
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