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. 2025 Aug 22;15(36):29753–29776. doi: 10.1039/d5ra04997k

Table 1. Binding energy score of the docked most active cytotoxic compounds on VEGFR-2.

Compound Binding score ΔG (kcal mol−1) Amino acids involved in interaction
Sorafenib −10.16 Asp1046, Glu885, Cys919, Phe1047, Leu840 and Leu1035
6b −7.68 Asp1046, Glu885, Leu889, Cys1045 and Phe1047
7b −7.33 Glu885, Cys1024, Leu889, Ile888, and His1026
8b −9.13 Asp1046, Glu885, Cys919, Cys1045, Leu840 and Lys868
12a −8.99 Asp1046, Glu885, Cys1045, Leu889, Ile888, Cys1024 and Arg1027
12b −8.84 Asp1046, Glu885, Cys1045, Leu889 and Ile888
12c −8.13 Asp1046, Glu885, Ile888, Cys1024, Ile1025 and Arg1027
13b −7.89 Asp1046, Leu889, Ile888, Glu815, His816 and Lys868