基于数据挖掘与网络药理学技术的中药治疗非增殖期糖尿病视网膜病变经验总结

doi:10.20047/j.issn1673-7210.2022.36.04

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摘要目的基于数据挖掘与网络药理学技术对中药治疗非增殖期糖尿病视网膜病变（NPDR）进行经验总结。方法搜索并整理中国知网、万方数据库中有关中医药治疗NPDR的文献，限定时间为建库至2020年12月。利用中医传承计算平台V 3.0构建方剂数据库，对有关方药进行频数、性味、归经、功效统计。对有关药对进行关联规则分析，总结中医药治疗NPDR的用药规律以及核心配伍。对核心药对运用中医药系统药理学数据库分析平台、中医药综合数据库、Uniprot、GeneCards构建“成分-靶标”网络，配合STRING数据库和Cytoscape软件构建蛋白质-蛋白质相互作用网络，并进行分子对接。利用R语言对有关的基因进行GO分类富集分析与KEGG通路富集分析。结果通过对中医药治疗NPDR的107个处方分析得到常用药物10味，其中黄芪、生地、三七使用频次最高。四气以寒、平、温性为主；五味以苦、甘味为主；归经主要为肝、肺、肾经。使用频次较高的药对有7个，其中黄芪-生地、黄芪-三七、生地-三七居前3位。对黄芪-生地药对进行网络药理学分析可知主要成分包括槲皮素、山柰酚、刺芒柄花素、异鼠李素等，主要的作用靶点包括TP53、SERPINE1、VEGFA、TNF等。KEGG与GO富集通路显示相关中药有效成分与细胞增殖、细胞对化学应激及细胞对脂多糖反应等有关。核心靶点蛋白和核心活性成分对接的自由能计算结果显示，黄芪-生地药对中的核心活性成分（槲皮素、山柰酚）和NPDR中的关键核心靶点有良好的结合作用。结论中医治疗NPDR的高频药对为黄芪-生地，其成分可能通过多靶点对多通路发挥调控作用，可为临床、基础研究提供指导意义。

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	吴小翠1 杨智华2 谢毅强3 李瑞4 程亚伟5

关键词 ：非增殖期糖尿病视网膜病变, 数据挖掘, 网络药理学, 分子对接

Abstract：Objective To summarize the experience of traditional Chinese medicine in treating non-proliferative diabetic retinopathy (NPDR) based on data mining and network pharmacology. Methods Literatures of treating NPDR with traditional Chinese medicine from CNKI and Wanfang Data were searched and collated, and the limited time was from inception to December 2020. Traditional Chinese medicine inheritance computing platform V 3.0 was used to build a prescription database, and the frequency, flavor, meridian transformation, and efficacy of related prescriptions were counted. Association rules of related drug pairs were analyzed, and medication rules and core compatibility of traditional Chinese medicine treatment of NPDR were summarized. For the core drug pairs, the traditional Chinese medicine systems pharmacology database and analysis platform, traditional Chinese medicine integrative database, Uniprot, and GeneCards were used to construct the “ingredient-target” network, and the protein-protein interaction network was constructed with STRING database and Cytoscape software, and molecular docking was carried out. GO classification enrichment analysis and KEGG pathway enrichment analysis were performed by R language. Results According to the analysis of 107 prescriptions of NPDR treated by traditional Chinese medicine, ten drugs were commonly used, among which Radix Astragali seu Hedysari, Radix Rehmanniae Recens, and Radix Notoginseng were the most frequently used. The four nature of drugs were mainly cold, flat, and warm, the five flavours were mainly bitter and sweet, the channel tropism were mainly liver, lung, and kidney channel. There were seven drug pairs with high frequency of use, among which Radix Astragali seu Hedysari-Radix Rehmanniae Recens, Radix Astragali seu Hedysari-Radix Notoginseng, and Radix Astragali seu Hedysari- Radix Notoginseng ranked the top three. Network pharmacological analysis of the Radix Astragali seu Hedysari-Radix Rehmanniae Recens drug pair showed that the main components included quercetin, kaempferol, formononetin, isorhamnetin, etc., and the main targets included TP53, SERPINE1, VEGFA, TNF, etc. KEGG and GO enrichment pathways showed that the active components of traditional Chinese medicine were related to cell proliferation, cell response to chemical stress, and cell response to lipopolysaccharide. The free energy calculation of core target protein and core active ingredient showed that the core active ingredient in Radix Astragali seu Hedysari-Radix Rehmanniae Recens drug pair (quercetin, kaempferol) had a good binding effect with the key core target in NPDR. Conclusion Radix Astragali seu Hedysari-Radix Rehmanniae Recens is a high-frequency drug for NPDR treatment in traditional Chinese medicine. Its components may play a regulatory role on multiple pathways by acting on multiple targets, which can provide guidance for clinical and basic research.

Key words： Non-proliferative diabetic retinopathy Data mining Network pharmacology Molecular docking technology

基金资助:海南省中医治未病中心能力建设项目（0101290）；
国家中医药管理局“张永杰全国名中医传承工作室”项目（琼财社[2020]104号）。

通讯作者: 谢毅强（1972-），男，博士，教授；研究方向：中医药防治内分泌及代谢疾病。

作者简介: 吴小翠（1987-），女，硕士；研究方向：糖尿病及其并发症的防治。

引用本文:

吴小翠1 杨智华2 谢毅强3 李瑞4 程亚伟5. 基于数据挖掘与网络药理学技术的中药治疗非增殖期糖尿病视网膜病变经验总结[J]. 中国医药导报, 2022, 19(36): 21-28.
WU Xiaocui1 YANG Zhihua2 XIE Yiqiang3 LI Rui4 CHENG Yawei5. Summary of experience in treating non-proliferative diabetic retinopathy with traditional Chinese medicine based on data mining and network pharmacology. 中国医药导报, 2022, 19(36): 21-28.

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https://www.yiyaodaobao.com.cn/CN/10.20047/j.issn1673-7210.2022.36.04 或 https://www.yiyaodaobao.com.cn/CN/Y2022/V19/I36/21

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