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. 2023 Jun 14;9(6):e17106. doi: 10.1016/j.heliyon.2023.e17106

Table 2.

Binding affinities, polar bonding, and hydrophobic interactions of Alg-4-AP3 against the proposed target receptors.

Target Binding energy (kcal/mol) Polar bonding Hydrophobic interactions
EGFR −6.9 Met793 Leu 718, Val 726, Ala 743, Lys 745, Glu 762, Leu 788, Thr790, Leu 792, Gly 796 and Leu 844
HER2 −7.4 Pro 761, Lys 765, Glu 764, Arg 966 and Glu 975 Lys 957, Cys 965, Pro 967 and Glu 971
VEGFR 2 −6.5 Thr859, Thr861, Glu 917 and Glu 1038 Leu 836, Gly 837, Lys 838, Pro 839, Asp 857, Arg 863, Ser 1037 and Lys 1043