Skip to main content
. 2023 Sep 19;13(40):27801–27827. doi: 10.1039/d3ra05689a

The binding energies (ΔG) of the synthesized thiazolidine-2,4-dione derivatives and sorafenib against VEGFR-2.

Comp. ΔG [kcal mol−1] (Number of H-bonds)/amino acids Number of hydrophobic bonds/amino acids
Sorafenib −21.33 (5)/Cys917, Glu88, and Asp1044 (8)/Leu838, Ala864, Leu1033 Val914, Val846, Cys1043, Phe1045. Leu887, His1024, and Leu1017
12 −21.95 (3)/Cys917, Glu88, and Asp1044 (8)/Leu838, Phe916, Ala864, Leu1033, Val914, Val897, Phe1045, and Ile886
13 −21.84 (3)/Cys917, Glu88, and Asp1044 (9)/Leu838, Phe916, Ala864, Leu1033, Val914, Val897, Cys1043, Leu887, and Ile886
14 −24.15 (3)/Cys917, Glu88, and Asp1044 (9)/Leu838, Phe916, Ala864, Leu1033, Val914, Val897, Cys1043, and Ile886
15 −24.62 (3)/Cys917, Glu88, and Asp1044 (8)/Leu838, Phe1045, Ala864, Leu1033, Val914, Val897, Cys1043, Leu887, and Ile886
16 −24.05 (3)/Cys917, Glu88, and Asp1044 (8)/Leu838, Phe916, Ala864, Leu1033, Val914, Val897, Phe1045, Cys1043, and Leu887
17 −23.16 (3)/Cys917, Glu88, and Asp1044 (8)/Leu838, Phe1045, Ala864, Leu1033, Val914, Val897, Phe1045, Cys1043, Ile886, and Ile886