Study on the mechanism of action of colchicine in the treatment of coronary artery disease based on network pharmacology and molecular docking technology.
Study on the mechanism of action of colchicine in the treatment of coronary artery disease based on network pharmacology and molecular docking technology.
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DOI：
10.3389/fphar.2023.1147360
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发表时间：
2023
影响因子：
5.6
通讯作者：
中科院分区：
文献类型：
--
作者：
目的：首次运用网络药理学和分子对接技术探讨秋水仙碱治疗冠心病的作用机制，旨在预测秋水仙碱治疗冠心病的关键靶点和主要途径。有望为疾病机制的研究和药物开发提供新的思路。方法：利用中医药系统药理数据库和分析平台(TCMSP)、瑞士靶点预测数据库和PharmMapper数据库获取药物靶点。利用基因卡、人类孟德尔遗传在线数据库(OMIM)、治疗靶标数据库(TTD)、DrugBank和DisGeNET数据库获得疾病靶标。取两者的交点进入秋水仙碱治疗冠状动脉疾病的交点靶点。利用Sting数据库对蛋白质-蛋白质相互作用网络进行分析。利用Webegalt数据库进行基因本体论(GO)功能富集化分析。Reactom数据库用于京都基因和基因组百科全书(KEGG)的浓缩分析。利用AutoDock 4.2.6和PyMOL2.4软件对分子对接进行了模拟。结果：共获得70个秋水仙碱治疗冠心病的交叉靶点，其中50个靶点之间存在交互作用。GO功能丰富分析得到13个生物学过程、18个细胞成分和16个分子功能。KEGG富集法共获得549条信号通路。重点靶点的分子对接效果总体较好。结论：秋水仙碱可能通过细胞色素c(Cycs)、髓过氧化物酶(MPO)、组蛋白脱乙酰基酶1(HDAC1)等靶点治疗冠心病。其作用机制可能与细胞对化学刺激的反应以及p75NTR介导的SC1对细胞周期的负调控有关，值得进一步研究探索。然而，这一研究还需要实验来验证。未来的研究将从这些靶点探索治疗冠状动脉疾病的新药。
Objective: This is the first study to explore the mechanism of colchicine in treating coronary artery disease using network pharmacology and molecular docking technology, aiming to predict the key targets and main approaches of colchicine in treating coronary artery disease. It is expected to provide new ideas for research on disease mechanism and drug development. Methods: Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP), Swiss Target Prediction and PharmMapper databases were used to obtain drug targets. GeneCards, Online Mendelian Inheritance in Man (OMIM), Therapeutic Target Database (TTD), DrugBank and DisGeNET databases were utilized to gain disease targets. The intersection of the two was taken to access the intersection targets of colchicine for the treatment of coronary artery disease. The Sting database was employed to analyze the protein-protein interaction network. Gene Ontology (GO) functional enrichment analysis was performed using Webgestalt database. Reactom database was applied for Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis. Molecular docking was simulated using AutoDock 4.2.6 and PyMOL2.4 software. Results: A total of 70 intersecting targets of colchicine for the treatment of coronary artery disease were obtained, and there were interactions among 50 targets. GO functional enrichment analysis yielded 13 biological processes, 18 cellular components and 16 molecular functions. 549 signaling pathways were obtained by KEGG enrichment analysis. The molecular docking results of key targets were generally good. Conclusion: Colchicine may treat coronary artery disease through targets such as Cytochrome c (CYCS), Myeloperoxidase (MPO) and Histone deacetylase 1 (HDAC1). The mechanism of action may be related to the cellular response to chemical stimulus and p75NTR-mediated negative regulation of cell cycle by SC1, which is valuable for further research exploration. However, this research still needs to be verified by experiments. Future research will explore new drugs for treating coronary artery disease from these targets.
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影响因子：
3.6
作者：
Chen, Tao;Liu, Guihong;Yu, Bo
通讯作者：
Yu, Bo
影响因子：
5.8
作者：
Bauer-Mehren, Anna;Rautschka, Michael;Furlong, Laura I.
通讯作者：
Furlong, Laura I.
影响因子：
8.3
作者：
Andreis, Alessandro;Imazio, Massimo;De Ferrari, Gaetano Maria
通讯作者：
De Ferrari, Gaetano Maria
影响因子：
5.3
作者：
Burgmaier M;Schutters K;Willems B;van der Vorst EP;Kusters D;Chatrou M;Norling L;Biessen EA;Cleutjens J;Perretti M;Schurgers LJ;Reutelingsperger CP
通讯作者：
Reutelingsperger CP
影响因子：
2.7
作者：
Cheng, Minju;Cheng, Minjing;Wei, Qingmin
通讯作者：
Wei, Qingmin