基于生物信息技术研究陈士铎治疗不孕的用药规律与作用机制

Study on the Medication Rule and Action Mechanism of Chen Shiduo in the Treatment of Infertility Based on Bioinformatics Technology

目的:基于数据挖掘联合整合网络药理学研究陈士铎治疗不孕的用药规律与作用机制,为临床提供用药思路,为科学研究提供其作用机制。方法:手工检索清代医家陈士铎医术关于治疗不孕的医案,通过Excel 2010、IBM SPSS Statistics、IBM SPSS Modeler分析相关医案中治疗不孕方药的频次、气味归经、聚类分析以及关联规则分析;再通过TCMIP v2.0中的“中医药关联网络挖掘”模块对“人参—巴戟天—白术”进行生物分子机制研究。结果:陈士铎治疗不孕高频次中药有白术、人参、茯苓、巴戟天、肉桂,多用甘温之品,次则苦寒之药,注重脾肾二经。聚类分析有14类,二项关联主要有白术—人参,白术—茯苓,三项关联主要有人参—巴戟天—白术。对三项关联的角药进行整合网络药理学分析,中药网络调控机制挖掘结果显示,疾病—药物关联的节点包括CYP19A1、ESR1、ESR2;药物—成分—靶标—通路分析涉及27个活性成分,51个靶标,以及14个主要通路。结论:陈士铎治疗不孕用药以甘温为主,注重后天之本,同时强调清热、行气、祛湿等法的运用;角药“人参—巴戟天—白术”干预不孕的物质基础可能是通过调控CYP19A1、ESR1、ESR2来发挥作用,本研究为治疗不孕的理论探讨、临床研究及药物研发提供参考。

Objective:Based on data mining and integrated network pharmacology to study Chen Shiduo’s medication rule and mechanism of action in the treatment of infertility,to provide clinical medication ideas and scientific research to provide its mechanism of action.Methods:Manually retrieve the medical records of the Qing Dynasty physician Chen Shiduo on the treatment of infertility,and analyze the frequency of infertility treatments in the relevant medical records through Excel 2010,IBM SPSS Statistics,and IBM SPSS Modeler,odor classification,cluster analysis and association rules analyze;then use the“Traditional Chinese Medicine Association Network Mining”module in TCMIP v2.0 to study the biomolecular mechanism of“Ginseng-Morinda officinalis-Atractylodes macrocephala”.Results:Chen Shiduo used Atractylodes macrocephala,Ginseng,Poria,Morinda officinalis,Cinnamon to treat high frequency of infertility.He mostly used sweet and warm products,followed by bitter and cold medicine,focusing on the two meridians of the spleen and kidney.The cluster analysis has 14 categories,the binomial correlations are mainly Atractylodes macrocephala-Ginseng,Atractylodes macrocephala-Poria,and the three correlations are mainly Ginseng-Morinda officinalis-Atractylodes macrocephala.The integrated network pharmacology analysis of the three related corner medicines.The results of the TCM network regulation mechanism mining show that the disease-drug related nodes include CYP19A1,ESR1,ESR2;the drug-component-target-pathway analysis involves 27 active ingredients,51 targets and 14 main pathways.Conclusion:Chen Shiduo’s treatment of infertility is based on sweetness and warmth,focusing on the basis of acquired nature,while emphasizing the application of heat-clearing,promoting qi,and removing dampness;the material basis of the keratin“Ginseng-Morinda offcinalis-Atractylodes macrocephala”may be the material basis for intervention in infertility.By regulating CYP19A1,ESR1,ESR2 to play a role,this study provides a reference for the theoretical discussion,clinical research and drug development of the treatment of infertility.