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Deciphering metabonomics biomarkers-targets interactions for psoriasis vulgaris by network pharmacology

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机构: [1] Guangzhou Univ Chinese Med, Inst Clin Med 2, Guangzhou, Guangdong, Peoples R China [2] Guangdong Prov Acad Chinese Med Sci, Guangzhou 510000, Guangdong, Peoples R China [3] Peking Univ, Coll Chem & Mol Engn, Beijing, Peoples R China
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关键词: Metabonomics biomarker psoriasis network pharmacology drug-target network binding energy-weighted polypharmacological index

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Objectives: Psoriasis vulgaris is a chronic inflammatory and immune-mediated skin disease. 44 metabonomics biomarkers were identified by high-throughput liquid chromatography coupled to mass spectrometry in our previous work, but the roles of metabonomics biomarkers in the pathogenesis of psoriasis is unclear. Methods: The metabonomics biomarker-enzyme network was constructed. The key metabonomics biomarkers and enzymes were screened out by network analysis. The binding affinity between each metabonomics biomarker and target was calculated by molecular docking. A binding energy-weighted polypharmacological index was introduced to evaluate the importance of target-related pathways. Results: long-chain fatty acids, phospholipids, Estradiol and NADH were the most important metabonomics biomarkers. Most key enzymes belonged hydrolase, thioesterase and acyltransferase. Six proteins (TNF-alpha, MAPK3, iNOS, eNOS, COX2 and mTOR) were extensively involved in inflammatory reaction, immune response and cell proliferation, and might be drug targets for psoriasis. PI3K-Akt signaling pathway and five other pathways had dose correlation with the pathogenesis of psoriasis and could deserve further research. Conclusions: The inflammatory reaction, immune response and cell proliferation are mainly involved in psoriasis. Network pharmacology provide a new insight into the relationships between metabonomics biomarkers and the pathogenesis of psoriasis.

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出版当年[2017]版
大类 | 2 区 医学
小类 | 2 区 医学:内科
最新[2025]版:
大类 | 2 区 医学
小类 | 2 区 医学:内科
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出版当年[2016]版:
Q1 MEDICINE, GENERAL & INTERNAL
最新[2023]版:
Q1 MEDICINE, GENERAL & INTERNAL

影响因子: 最新[2023版] 最新五年平均 出版当年[2016版] 出版当年五年平均 出版前一年[2015版] 出版后一年[2017版]

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第一作者机构: [1] Guangzhou Univ Chinese Med, Inst Clin Med 2, Guangzhou, Guangdong, Peoples R China [2] Guangdong Prov Acad Chinese Med Sci, Guangzhou 510000, Guangdong, Peoples R China
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通讯机构: [*1]Guangdong Prov Acad Chinese Med Sci, Guangzhou 510000, Guangdong, Peoples R China [2] Guangdong Prov Acad Chinese Med Sci, Guangzhou 510000, Guangdong, Peoples R China
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