基于网络药理学和分子对接探讨青黛防治2型糖尿病的作用机制研究

Action mechanism of Indigo Naturalis in the prevention and treatment of diabe-tes mellitus type 2 based on network pharmacology and molecular docking

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中文摘要：目的:通过网络药理学和分子对接初步揭示了青黛抗2型糖尿病的作用机制.方法:从中药系统药理学数据库与分析平台(TCMSP)中根据吸收和代谢情况选出青黛的有效成分及成分所对应的靶点,将靶点转换成对应的基因,取青黛和2型糖尿病的交集基因做PPI蛋白互作网络图,通过David数据库进行基因本体(GO)和京都基因与基因组百科全书(KEGG)分析,最后采用分子对接验证.结果:筛选得到青黛的活性成分9个、交集基因204个,通过蛋白互作分析发现"STAT3、JUN、MAPK3"可能有治疗 2 型糖尿病的作用,KEGG 富集发现,且可能通过 positive regulation of transcription from RNA polymerase Ⅱpromotor、response to drug、positive regulation of gene expression 等信号通路进行调控.分子对接结果表明青黛中的 Bisindigotin、Indican、Isovitexin等活性成分与"STAT3、JUN、MAPK3"有比较强的结合能力.结论:青黛可能是通过Bisindigotin、Indican、Iso-vitexin 等成分调控 positive regulation of transcription from RNA polymerase Ⅱ promotor 等相关信号通路上的 STAT3、JUN、MAPK3等基因发挥治疗2型糖尿病的作用.

外文摘要：This study preliminarily reveals the action mechanism of Indigo Naturalis in the prevention and treat-ment of diabetes mellitus type 2 based on network pharmacology and molecular docking.From the Traditional Chi-nese Medicine System Pharmacology Database and Analysis Platform(TCMSP),the active ingredients of Indigo Nat-uralis and their corresponding targets were selected according to their absorption and metabolism,and the targets were converted into corresponding genes.The PPI protein interaction network was obtained based on the intersec-ting genes of Indigo Naturalis and diabetes mellitus type 2.The Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)analysis was carried out by using the David database,and finally verified by molecular docking.Nine active ingredients and 204 intersecting genes of Indigo Naturalis were screened out.The protein in-teraction analysis found that STAT 3,JUN,and MAPK3 had the potential effect of treating diabetes mellitus type 2.KEGG enrichment found that the regulation might be realized through positive regulation of transcription from RNA polymerase Ⅱ promotor,response to drug,positive regulation of gene expression,and other signaling pathways.Molecular docking results showed that Bisindigotin,Indican,Isovitexin and other active components in Indigo Natu-ralis had very strong binding ability with STAT 3,JUN,and MAPK3.In conclusion,Indigo Naturalis might play a role in the treatment of diabetes mellitus type 2 by regulating STAT3,JUN,MAPK3 and other genes in related signa-ling pathways such as positive regulation of transcription from RNA polymerase Ⅱ promotor through Bisindigotin,In-dican,Isovitexin and other components.

外文关键词：

Indigo Naturalisdiabetes mellitus type 2network pharmacologyaction mechanismmolecular doc-king

作者：

赵友芳、段学清、朱晨、田维毅

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作者单位：

贵州中医药大学,贵州贵阳 550025

关键词：

青黛 2型糖尿病网络药理学作用机制分子对接

基金：

国家自然科学基金贵州省科技计划项目贵州省基础研究计划项目贵州省中医药调控肠道菌群防治重大疾病科技创新人才团队

项目编号：

82060824黔科合基础-ZK[2022]一般460黔科合基础-ZK[2022]一般512黔科合平台人才[2020]5010

出版年：

2024

贵州科学

贵州科学院

贵州科学

影响因子：0.395

ISSN：1003-6563

年,卷(期)：2024.42(1)

参考文献量23