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. 2021 Aug 2;36(1):1760–1782. doi: 10.1080/14756366.2021.1956488

Table 5.

The calculated ΔG (binding free energies) of the synthesised compounds and reference drug against VEGFR-2 (PDB ID; 2OH4 and 4ASD) (ΔG in Kcal/mole).

Comp. VEGFR-2 (PDB ID: 2OH4) ΔG [Kcal/mole] VEGFR-2 (PDB ID: 4ASD) ΔG [Kcal/mole]
27a −25.71 −28.56
27b −25.45 −25.51
27c −10.82 −11.23
27d −14.22 −20.33
27e −23.61 −22.41
27f −20.71 −21.06
28 −26.41 −29.46
29 −23.48 −25.22
30a −16.47 −22.47
30b −17.08 −23.62
30c −21.59 −28.38
30d −27.45 −24.17
30e −20.74 −19.11
30f −23.22 −16.83
30g −18.23 −25.34
30h −24.05 −20.07
30i −20.62 −27.93
31a −26.77 −29.15
31b −25.01 −23.61
32 −21.66 −23.49
Sorafenib −30.07 −36.05