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| Study on the related mechanism of Di’ao Xinxuekang in the treatment of cardiac neurosis based on network pharmacology and molecular docking |
| BAO Baiyi1 SUN Meiling1 CHEN Xiang1 CAO Zhaoliu2 TANG Shubing3 LI Xin1 |
1.School of Pharmacy, Nanjing Medical University, Jiangsu Province, Nanjing 211166, China;
2.Nanjing Qixia District Hospital, Jiangsu Province, Nanjing 210046, China;
3.Chengdu DIAO Group, Sichuan Province, Chengdu 610041, China
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Abstract Objective To explore the targets and mechanisms of Di’ao Xinxuekang in the intervention of cardiac neurosis by network pharmacology data and molecular docking, and to provide theoretical basis and ideas for its clinical use. Methods The CNKI, Wanfang Data, VIP, and SinoMed were searched for the related literatures of Di’ao Xinxuekang, yellow Chinese yam, Chuanshanlong, and Chuanlong yam from the inception to September 2022, and the works of Di’ao Xinxuekang were also searched. Based on the network pharmacology method, the traditional Chinese medicine system pharmacology database and analysis platform was used, the main active ingredients and action targets of Di’ao Xinxuekang were obtained. Genecards, OMIM, PharmGKB, and TTD gene databases were used to screen out the pathogenic genes of cardiac neurosis, and the intersection between them and the drug-acting genes was used to construct the regulatory network. The core genes were selected by network topology calculation for GO analysis and KEGG analysis, and the drug active ingredients were used for molecular docking with the core genes. Combined with relevant studies, the mechanism of Di’ao Xinxuekang in the intervention of cardiac neurosis was analyzed and predicted. Results A total of 14 main active ingredients and 43 predicted targets of Di’ao Xinxuekang were obtained. There were 41 intersection targets with cardiac neurosis, among which SLC6A2, SLC6A4, MAOA, and other proteins may be the key targets for the intervention of cardiac neurosis. Molecular docking of the key targets and their corresponding active components showed that the active components of Di’ao Xinxuekang had a strong binding ability to the corresponding core targets. Conclusion The intervention of Di’ao Xinxuekang in cardiac neurosis involves multi-targets, multi-processes, and multi-pathways.
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[1] 杨晓荣，董宇翔.心脏神经官能症的中医诊治[J].长春中医药大学学报，2011，27（1）：65-66.
[2] 吕美凤，赵海燕.心脏神经官能症及其治疗研究[J].中西医结合心血管病电子杂志，2019，7（22）：18-19.
[3] 陈会君，张羽嘉.中医治疗心脏神经官能症的临床研究进展[J].中国中医急症，2021，30（7）：1314-1316.
[4] 国家药典委员会.中华人民共和国药典[S].一部.北京：中国医药科技出版社，2015：820-821.
[5] 李伯刚，邹文俊，白红艳，等.甾体总皂苷提取物的新用途：中国，CN101244066A[P].2008-08-20.
[6] Wang N，Zheng Y，Gu J，et al. Network-pharmacology-based validation of TAMS/CXCL-1 as key mediator of XIAOPI formula preventing breast cancer development and metastasis [J]. Sci Rep，2017，7（1）：14513.
[7] Tang H，Huang H，Lee C，et al. Network pharmacology-based approach of novel traditional Chinese medicine formula for treatment of acute skin inflammation in silico [J]. Comput Biol Chem，2017，71：70-81.
[8] Safran M，Dalah I，Alexander J，et al. GeneCards Version 3：the human gene integrator [J]. Database（Oxford），2010，2010： baq020.
[9] Amberger JS，Bocchini CA，Schiettecatte F，et al. OMIM.org： Online Mendelian Inheritance in Man（OMIM■），an online catalog of human genes and genetic disorders [J]. Nucleic Acids Res，2015，43：D789-D798.
[10] Klein TE，Altman RB. PharmGKB：the pharmacogenetics and pharmacogenomics knowledge base [J]. Pharmacogenomics J，2004，4（1）：1.
[11] Zhou Y，Zhang Y，Lian X，et al. Therapeutic target database update 2022：facilitating drug discovery with enriched comparative data of targeted agents [J]. Nucleic Acids Res，2021， 50（D1）：D1398-D1407.
[12] Ru J，Li P，Wang J，et al. TCMSP：a database of systems pharmacology for drug discovery from herbal medicines [J]. J Cheminform，2014，6（1）：13.
[13] Rolf A，Amos B，Wu CH，et al. UniProt：the Universal Protein knowledgebase [J]. Nucleic Acids Res，2004，32：D115- D119.
[14] Szklarczyk D，Gable AL，Lyon D，et al. STRING v11：protein-protein association networks with increased coverage, supporting functional discovery in genome-wide experimental datasets [J]. Nucleic Acids Res，2019，4（D1）：D607- D613.
[15] Berman HM，Westbrook J，Feng Z，et al. The Protein Data Bank [J]. Nucleic Acids Res，2000，28（1）：235-242.
[16] Sunghwan K，Thiessen PA，Bolton EE，et al. PubChem Substance and Compound databases [J]. Nucleic Acids Res， 2016，44（D1）：D1202-D1213.
[17] Kim S，Thiessen PA，Bolton EE，et al. PubChem Substance and Compound databases [J]. Nucleic Acids Res，2016，44（D1）：D1202- D1213.
[18] Trott O，Olson AJ. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function，efficient optimization，and multithreading [J]. J Comput Chem，2010， 31（2）：455-461.
[19] 冯群，关永霞，黄志艳，等.基于网络药理学和分子对接的荆防败毒散预防新型冠状病毒肺炎的活性成分研究[J].药学实践杂志，2020，38（6）：485-491，538.
[20] Hopkins AL. Network pharmacology：the next paradigm in drug discovery [J]. Nat Chem Biol，2008，4（11）：682-690.
[21] 徐杰，刘桂珍，詹瑞云，等.地奥心血康对羟基自由基的清除作用[J].新药与临床，1994（2）：80-82.
[22] 李修昌，陆应石，周卫刚.地奥心血康对冠心病患者血小板聚集性的影响[J].临床医学，2000，20（2）：62-63.
[23] 陈开地，曹安年.冠心病患者甲襞微循环及血液流变学检测[J].蚌埠医学院学报，1997，22（3）：168-169.
[24] 刘建勋，马晓斌，尚晓泓，等.地奥心血康对麻醉犬及清醒兔急性心肌梗死的影响[J].新药与临床，1994（3）：140-143.
[25] 陈恒留，莫尚武，周懋伦，等.地奥心血康对大鼠主动脉45Ca内流的影响[J].新药与临床，1994（3）：144-146.
[26] 陈宏毅，陈慧，骆杰伟，等.高血压病并心力衰竭与ACE基因、SLC6A2基因多态性的关联研究[J].心血管康复医学杂志，2011，20（1）：1-5.
[27] Ping L，Tiantian L，Jiajia L，et al. Promoter Polymorphism in the Serotonin Transporter（5-HTT）Gene Is Significantly Associated with Leukocyte Telomere Length in Han Chinese [J]. PLoS One，2014，9（4）：e94442.
[28] 刘少将，石玉秀，韩芳.MAOA基因多态性与攻击行为[J].中国心理卫生杂志，2017，31（7）：580-584. |
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