Gegen Zhu-la, Gao Ya, Site Ge-le, Alatan Chaolu-Men, Tai Bada-Lahu, Tu Ya
College of Traditional Mongolian Medicine, Inner Mongolia University for Nationalities Tongliao 028000, China.
Development Research Center of Traditional Chinese Medicine, China Academy of Chinese Medical Sciences Beijing 100700, China.
Zhongguo Zhong Yao Za Zhi. 2022 Feb;47(3):836-845. doi: 10.19540/j.cnki.cjcmm.20210927.201.
The chemical constituents in the volatile oil of Syringa oblata were identified using GC-MS and NIST database. TCMSP and SwissTargetPrediction were employed to predict the potential targets of the active components in S. oblata. Through Online Mendelian Inheritance in Man(OMIM), GeneCards, and Kyoto Encyclopedia of Genes and Genomes(KEGG), we screened out the targets related to the prevention or treatment of angina pectoris by the volatile oil of S. oblata, and then used DAVID 6.8 to annotate the gene ontology(GO) terms and KEGG pathways. The "active components-targets-pathways" network was constructed in Cytoscape 3.6.0, and the key active components and targets of S. oblata were verified by Discovery Studio 2016. Forty-six chemical constituents were identified from the volatile oil of S. oblata; 198 potential targets of the active components and 1 138 targets associated with angina pectoris were predicted. A total of 71 common targets were shared by the active components and the disease, including cytochrome P450 19 A1(CYP19 A1) and prostaglandin G/H synthase 2(PTGS2). The KEGG pathways involved include PPAR, JAK-STAT, TNF, Toll-like receptor and NOD-like receptor signaling pathways. The active components in the volatile oil of S. oblata may play anti-inflammatory and anti-apoptosis roles. This study provides a reliable clue for further explanation of the effective components and the functioning mechanism of S. oblata in the treatment of angina pectoris.
采用气相色谱 - 质谱联用(GC-MS)技术和NIST数据库对紫丁香挥发油中的化学成分进行鉴定。运用中药系统药理学数据库与分析平台(TCMSP)和瑞士药物靶点预测数据库(SwissTargetPrediction)预测紫丁香活性成分的潜在靶点。通过在线人类孟德尔遗传数据库(OMIM)、基因卡片数据库(GeneCards)和京都基因与基因组百科全书(KEGG),筛选出与紫丁香挥发油预防或治疗心绞痛相关的靶点,然后使用DAVID 6.8对基因本体论(GO)术语和KEGG通路进行注释。在Cytoscape 3.6.0软件中构建“活性成分 - 靶点 - 通路”网络,并通过Discovery Studio 2016验证紫丁香的关键活性成分和靶点。从紫丁香挥发油中鉴定出46种化学成分;预测出活性成分的198个潜在靶点和与心绞痛相关的1138个靶点。活性成分与疾病共有的靶点有71个,包括细胞色素P450 19 A1(CYP19 A1)和前列腺素G/H合酶2(PTGS2)。涉及的KEGG通路包括过氧化物酶体增殖物激活受体(PPAR)、Janus激酶 - 信号转导和转录激活因子(JAK-STAT)、肿瘤坏死因子(TNF)、Toll样受体和NOD样受体信号通路。紫丁香挥发油中的活性成分可能发挥抗炎和抗凋亡作用。本研究为进一步阐释紫丁香治疗心绞痛的有效成分及作用机制提供了可靠线索。