Mechanisms of Rhizoma Coptidis against type 2 diabetes mellitus explored by network pharmacology combined with molecular docking and experimental validation.
Mechanisms of Rhizoma Coptidis against type 2 diabetes mellitus explored by network pharmacology combined with molecular docking and experimental validation.
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DOI：
10.1038/s41598-021-00293-8
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发表时间：
2021-10-21
影响因子：
4.6
通讯作者：
Xu Y
中科院分区：
文献类型：
--
作者：
An W;Huang Y;Chen S;Teng T;Shi Y;Sun Z;Xu Y
本研究通过网络药理学和分子对接及实验验证，系统探讨了黄连抗2型糖尿病（T2DM）的潜在机制。我们在多个数据库中检索并筛选了黄连的活性化合物和相应的 T2DM 相关靶点。利用STRING构建基因的PPI网络，并通过拓扑分析筛选核心靶标。使用DAVID进行GO和KEGG富集分析。最后经过生物信息分析后进行分子对接和实验研究进行验证。黄连-T2DM有14个活性化合物和19个核心靶点，其中槲皮素被确定为主要化合物，IL6、VEGFA和TNF是最重要的核心靶点。 GO和KEGG富集分析表明黄连通过调节多种生物过程和途径改善T2DM。对接研究表明IL6、VEGFA和TNF能够与黄连的所有活性成分稳定结合。我们的实验结果表明，黄连可以抑制IL6和TNFα的表达，增强胰岛细胞活力。本研究提示黄连对T2DM具有抗炎治疗作用，为进一步研究黄连抗糖尿病作用提供科学依据和新思路。
This study systematically explored the underlying mechanism of Rhizoma Coptidis against type 2 diabetes mellitus (T2DM) by using network pharmacology and molecular docking and experimental validation. We retrieved and screened active compounds of Rhizoma Coptidis and corresponding T2DM-related targets across multiple databases. PPI networks of the genes were constructed using STRING, and the core targets were screened via topological analysis. GO and KEGG enrichment analyses were performed by using DAVID. Finally, molecular docking and experimental studies were performed after bioinformatic analysis for verification. There were 14 active compounds and 19 core targets of Rhizoma Coptidis-T2DM, of which quercetin was identified as the main compound and IL6, VEGFA and TNF were the most significant core targets. GO and KEGG enrichment analyses showed that Rhizoma Coptidis ameliorated T2DM by regulating multiple biological processes and pathways. Docking studies indicated that IL6, VEGFA and TNF could stably bind with all active compounds of Rhizoma Coptidis. The results of our experiments revealed that Rhizoma Coptidis could inhibit the expression of IL6 and TNFα and enhance islet cell viability. This study suggests anti-inflammatory therapeutic effects of Rhizoma Coptidis on T2DM, thereby providing a scientific basis and new insight for further research on the antidiabetic effect of Rhizoma Coptidis.
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影响因子：
4.5
作者：
Huang, Cheng-Chin;Kuo, Chun-Ying;Huang, Chun-Fa
通讯作者：
Huang, Chun-Fa
影响因子：
14.9
作者：
The Gene Ontology Consortium
通讯作者：
The Gene Ontology Consortium
网络药理学方法确定葛根芩连汤治疗2型糖尿病的活性成分和作用机制。
DOI：
10.1155/2014/495840
发表时间：
2014
期刊：
Evidence-based complementary and alternative medicine : eCAM
影响因子：
--
作者：
Li H;Zhao L;Zhang B;Jiang Y;Wang X;Guo Y;Liu H;Li S;Tong X
通讯作者：
Tong X
影响因子：
5.9
作者：
Li D;Jiang C;Mei G;Zhao Y;Chen L;Liu J;Tang Y;Gao C;Yao P
通讯作者：
Yao P
DOI：
10.1016/j.jpba.2020.113655
发表时间：
2021-01-05
影响因子：
3.4
作者：
Chen, Yang;Qi, Luming;Ma, Yuntong
通讯作者：
Ma, Yuntong