Curcumin for gastric cancer: Mechanism prediction via network pharmacology, docking, and in vitro experiments

doi:10.4251/wjgo.v16.i8.3635

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World Journal of Gastrointestinal Oncology

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World J Gastrointest Oncol. Aug 15, 2024; 16(8): 3635-3650
Published online Aug 15, 2024. 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.

Citation: Yang PH, Wei YN, Xiao BJ, Li SY, Li XL, Yang LJ, Pan HF, Chen GX. Curcumin for gastric cancer: Mechanism prediction via network pharmacology, docking, and in vitro experiments. World J Gastrointest Oncol 2024; 16(8): 3635-3650
URL: https://www.wjgnet.com/1948-5204/full/v16/i8/3635.htm
DOI: https://dx.doi.org/10.4251/wjgo.v16.i8.3635