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. 2023 May 5;10:1131972. doi: 10.3389/fnut.2023.1131972

Table 2.

Molecular docking parameters of quercetin, kaempferol, and 1L1B, AKT1, EGFR, IL6, and VEGFA.

Compounds (Ligand) Targets (PDB ID) RMSD (Å) Binding energy (kJ/mol) Center Size
MOL000098 (quercetin) 1L1B (5r8i) 0 −6.8 x = 40.006, y = 8.701, z = 56.427 x = 21, y = 21, z = 21
AKT1 (4gv1) 0 −8.1 x = −20.8, y = 7.36, z = 12.229 x = 21, y = 21, z = 21
EGFR (3poz) 1.953 −8.5 x = 16.656, y = 32.531, z = 18.518 x = 21, y = 21, z = 33
IL6 (4ni9) 0 −7.8 x = 16.922, y = 20.285, z = −0.956 x = 21, y = 21, z = 21
VEGFA (5o4e) 0 −7.2 x = 157.73, y = 8.079, z = 144.882 x = 21, y = 21, z = 21
MOL000422 (kaempferol) 1L1B (5r8i) 1.71 −6.6 x = 4 0.006, y = 8.701, z = 56.427 x = 21, y = 21, z = 21
AKT1 (4gv1) 0 −7.6 x = −20.8, y = 7.36, z = 12.229 x = 21, y = 21, z = 21
EGFR (3poz) 0 −8.3 x = 16.656, y = 32.531, z = 18.518 x = 21, y = 21, z = 33
IL6 (4ni9) 1.44 −7.7 x = 16.922, y = 20.285, z = −0.956 x = 21, y = 21, z = 21
VEGFA (5o4e) 0 −6.8 x = 157.73, y = 8.079, z = 144.882 x = 28, y = 21, z = 21