Unraveling the mechanism of malancao in treating ulcerative colitis: A multi-omics approach

doi:10.12998/wjcc.v12.i17.3105

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World Journal of Clinical Cases

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

Clinical and Translational Research

World J Clin Cases. Jun 16, 2024; 12(17): 3105-3122
Published online Jun 16, 2024. doi: 10.12998/wjcc.v12.i17.3105

Table 1 Binding energy of eight active components and five target gene

Chemical name	Chemical formula	Protein data bank ID	Target	Binding energy (kcal/mol)
Luteolin	C₁₅H₁₀O₆	1H10	AKT1	-6.2
		1A02	JUN	-8.6
		1BYQ	HSP90AA1	-7.4
		1CP3	CASP3	-7.3
		1ALU	IL6	-7.1
Quercetin	C₁₅H₁₀O₇	1H10	AKT1	-5.9
		1A02	JUN	-7.9
		1BYQ	HSP90AA1	-7.4
		1CP3	CASP3	-7.4
		1ALU	IL6	-7.1
Wogonin	C₁₆H₁₂O₅	1H10	AKT1	-6.1
		1A02	JUN	-7.7
		1BYQ	HSP90AA1	-7.9
		1CP3	CASP3	-7.4
		1ALU	IL6	-6.0
Kaempferol	C₁₅H₁₀O₆	1H10	AKT1	-6.0
		1A02	JUN	-7.1
		1BYQ	HSP90AA1	-7.1
		1CP3	CASP3	-7.6
Rhein	C₁₅H₈O₆	1A02	JUN	-7.4
		1BYQ	HSP90AA1	-8.0
Aloe-emodin	C₁₅H₁₀O₅	1BYQ	HSP90AA1	-6.4
		1CP3	CASP3	-7.0
Genkwanin	C₁₆H₁₂O₅	1BYQ	HSP90AA1	-7.0
Oroxylin A	C₁₆H₁₂O₅	1BYQ	HSP90AA1	-7.0
		1CP3	CASP3	-7.2
		1ALU	IL6	-6.0

AKT1: AKT serine/threonine kinase 1; JUN: Jun proto-oncogene, activator protein 1 transcription factor subunit; HSP90AA1: Heat shock protein 90 Alpha family class A member 1; CASP3: Caspase 3; IL6: Interleukin 6.

Citation: Huang XL, Wu LN, Huang Q, Zhou Y, Qing L, Xiong F, Dong HP, Zhou TM, Wang KL, Liu J. Unraveling the mechanism of malancao in treating ulcerative colitis: A multi-omics approach. World J Clin Cases 2024; 12(17): 3105-3122
URL: https://www.wjgnet.com/2307-8960/full/v12/i17/3105.htm
DOI: https://dx.doi.org/10.12998/wjcc.v12.i17.3105