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. 2024 Aug 15;16(8):3635–3650. doi: 10.4251/wjgo.v16.i8.3635

Table 5.

Binding information for curcumin and docking of the hub target molecules

Hub targets
Binding energy (kcal/mol)
Hydrogen bonds
Hydrogen bonds, lengths
ESR1 -6.3 Ala307 (A) Gly366 (A) Ser305 (A) 2.82Å 3.06Å 2.95Å 3.47Å
EGFR -7.8 Lys745 (A) 3.31Å
CYP3A4 -8.4 - -
MAPK14 -7.9 Lys53 (A) 3.22Å
CYP1A2 -9.5 Arg108 (A) Arg456 (A) 3.15Å 3.15Å
CYP2B6 -9.3 Arg98 (A) 2.95Å 2.96Å

ESR1: Estrogen receptor 1; EGFR: Epidermal growth factor receptor; CYP3A4: Cytochrome P450 family 3 subfamily A member 4; MAPK14: Mitogen-activated protein kinase 14; CYP1A2: Cytochrome P450 family 1 subfamily A member 2; CYP2B6: Cytochrome P450 family 2 subfamily B member 6.