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Mechanisms of LiangxueXiaoban Decoction in the treatment of psoriasis
vulgaris based on network pharmacology and molecular docking |
TANG Feifei 1, LIANG Pengchen 2, SHI Hanfen1, ZHANG Zehan1, MENG Qinghong1,
CHENG Fafeng1, WANG Qingguo1, WANG Xueqian1 |
(1. College of Traditional Chinese Medicine, Beijing University of Chinese Medicine, Beijing 100029; 2. Graduate School, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China)
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Abstract Objective: To analyze the key components and targets of LiangxueXiaoban Decoction in the treatment of psoriasis vulgaris by network pharmacology and molecular docking, and to explore its possible mechanism. Methods: Traditional Chinese medicine systems pharmacology (TCMSP) and bioinformatics analysis tool for molecular mechanism of traditional Chinese medicine (BATMAN-TCM) were employed to search the effective active components and targets of LiangxueXiaoban Decoction. GeneCards database was employed to search the psoriasis vulgaris related genes. The drug-component-target-disease network and protein-protein interaction (PPI) network was constructed by STRING databaseand Cytoscape 3.7.2 software. Target gene functions and pathways were analyzed by bioinformatics annotation database(Metascape). Finally, Autodock software was applied in verifying the molecular docking between active ingredients and potential protein targets. Results: The key targets of LiangxueXiaoban Decoction in the treatment of psoriasis vulgaris are AKT1, VEGFA, IL-6, JUN and PTGS2, etc. The key KEGG pathways are IL-17 signaling pathway, PI3K-Akt signaling pathway and AGE-RAGE signaling pathway. The molecular docking results showed that diosgenin, kaempferol, luteolin, and baicalein can bind to targets such as PTGS2 and AKT1 with lower binding energy. Conclusion: LiangxueXiaoban Decoction can improve the pathological factors such as inflammatory infiltration of psoriasis, abnormal differentiation of keratinocytes and abnormal new angiogenesis by regulating IL-17 and PI3K/AKT signal pathways, which may contribute to its therapeutic role in psoriasis.
[Key words]network pharmacology; molecular docking; psoriasis; LiangxueXiaoban Decoction; target; signaling pathway
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Received: 21 December 2020
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[1] |
. [J]. Journal of Jiangsu University(Medicine Edition), 2021, 31(02): 93-100. |
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