Network pharmacology and molecular docking-based analyses to predict the potential mechanism of Huangqin decoction in treating colorectal cancer

doi:10.12998/wjcc.v11.i19.4553

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World Journal of Clinical Cases

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2307-8960

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

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World J Clin Cases. Jul 6, 2023; 11(19): 4553-4566
Published online Jul 6, 2023. doi: 10.12998/wjcc.v11.i19.4553

Table 3 Molecular docking results

Active ingredients	Binding energy (kcal/mol)
Active ingredients	JUN	TP53	VEGFA	AKT1
Betulinol	-8.4	-6	-8.7	-10.3
Tetraydropalmatine	-7.2	-6.1	-9.4	-9.6
Quercetin	-6.4	-8.3	-8.1	-8.3

JUN: Jun proto-oncogene, AP-1 transcription factor subunit; TP53: Tumor protein p53; VEGFA: Vascular endothelial growth factor; AKT1: AKT serine/threonine kinase 1.

Citation: Li YJ, Tang DX, Yan HT, Yang B, Yang Z, Long FX. Network pharmacology and molecular docking-based analyses to predict the potential mechanism of Huangqin decoction in treating colorectal cancer. World J Clin Cases 2023; 11(19): 4553-4566
URL: https://www.wjgnet.com/2307-8960/full/v11/i19/4553.htm
DOI: https://dx.doi.org/10.12998/wjcc.v11.i19.4553