Targeting colorectal cancer with Herba Patriniae and Coix seed: Network pharmacology, molecular docking, and in vitro validation

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Aug 15, 2024 (publication date) through Aug 7, 2024

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World Journal of Gastrointestinal Oncology

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1948-5204

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Baishideng Publishing Group Inc, 7041 Koll Center Parkway, Suite 160, Pleasanton, CA 94566, USA

Clinical and Translational Research

World J Gastrointest Oncol. Aug 15, 2024; 16(8): 3539-3558
Published online Aug 15, 2024. doi: 10.4251/wjgo.v16.i8.3539

Table 6 Binding energy of the molecular docking

Target	PDB ID	Ingredient	Binding energy (kcal/mol)	Hydrogen bond number	Action of amino acid residues
AKT1	6HHG	Acacetin	-9.2	1	THR-211
AKT1	6HHG	Bolusanthol B	-10.2	2	ASP-274/THR-81
AKT1	6HHG	Luteolin	-9.5	3	THR-211/TYR-272/GLN-79
AKT1	6HHG	Quercetin	-9.1	3	THR-211/TYR-272/GLN-79

Note: Binding energy function.

Citation: Wang CL, Yang BW, Wang XY, Chen X, Li WD, Zhai HY, Wu Y, Cui MY, Wu JH, Meng QH, Zhang N. Targeting colorectal cancer with Herba Patriniae and Coix seed: Network pharmacology, molecular docking, and in vitro validation. World J Gastrointest Oncol 2024; 16(8): 3539-3558
URL: https://www.wjgnet.com/1948-5204/full/v16/i8/3539.htm
DOI: https://dx.doi.org/10.4251/wjgo.v16.i8.3539