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轻度认知障碍的中药用药规律:一项网络药理学与数据挖掘研究

Medication Rules in Herbal Medicine for Mild Cognitive Impairment: A Network Pharmacology and Data Mining Study.

作者信息

Chang Z, Wang Yu-Chun, Tian Danfeng, Hu Wen-Yue, Wang Zhen-Yi, Liu Gan-Lu, Ma Hua-Ping, Hu Yu-Li, Wu Bin, Han Zhen-Yun

机构信息

Dongfang Hospital of Beijing University of Chinese Medicine, Beijing 100000, China.

Beijing University of Chinese Medicine, Beijing 100000, China.

出版信息

Evid Based Complement Alternat Med. 2022 May 18;2022:2478940. doi: 10.1155/2022/2478940. eCollection 2022.

Abstract

BACKGROUND

Although traditional Chinese medicine (TCM) has good efficacy in the treatment of mild cognitive impairment (MCI), especially memory improvement and safety, its substance basis and intervention mechanism are particularly complex and unknown. Therefore, based on network pharmacology and data mining, this study aims to explore the rules, active ingredients and mechanism of TCM in the treatment of MCI.

METHODS

By searching the GeneCard, OMIM, DisGeNET and DrugBank databases, we obtained the critical targets associated with MCI. We matched the components and herbs corresponding to the important targets in the TCMSP platform. Using Cytoscape 3.7.2 software, we constructed a target-component-herb network and conducted a network topology analysis to obtain the core components and herbs. Molecular docking was used to preliminarily analyze and predict the binding activities and main binding combinations of the core targets and components. Based on the analysis of the properties, flavor and meridian distribution of herbs, the rules of herbal therapy for MCI were summarized.

RESULTS

Twenty-eight critical targets were obtained after the screening. Using the TCMSP platform, 492 components were obtained. After standardization, we obtained 387 herbs. Based on the target-composition-herb network analysis, the core targets were ADRB2, ADRA1B, DPP4, ACHE and ADRA1D. According to the screening, the core ingredients were beta-sitosterol, quercetin, kaempferol, stigmasterol and luteolin. The core herbs were matched to Danshen, Yanhusuo, Gancao, Gouteng and Jiangxiang. It was found that the herbs were mainly warm in nature, pungent in taste and liver and lung in meridian. The molecular docking results showed that most core components exhibited strong binding activity to the target combination regardless of the in or out of network combination.

CONCLUSION

The results of this study indicate that herbs have great potential in the treatment of MCI. This study provides a reference and basis for clinical application, experimental research and new drug development of herbal therapy for MCI.

摘要

背景

尽管中医在治疗轻度认知障碍(MCI)方面具有良好疗效,尤其是在改善记忆和安全性方面,但其物质基础和干预机制极为复杂且尚不明确。因此,本研究基于网络药理学和数据挖掘技术,旨在探索中医治疗MCI的规律、活性成分及作用机制。

方法

通过检索GeneCard、OMIM、DisGeNET和DrugBank数据库,获取与MCI相关的关键靶点。在TCMSP平台上匹配重要靶点对应的成分和草药。使用Cytoscape 3.7.2软件构建靶点-成分-草药网络,并进行网络拓扑分析以获得核心成分和草药。采用分子对接初步分析和预测核心靶点与成分的结合活性及主要结合组合。基于对草药的性味归经分析,总结MCI的草药治疗规律。

结果

筛选后获得28个关键靶点。利用TCMSP平台,得到492种成分。经标准化处理后,获得387味草药。基于靶点-成分-草药网络分析,核心靶点为ADRB2、ADRA1B、DPP4、ACHE和ADRA1D。经筛选,核心成分为β-谷甾醇、槲皮素、山奈酚、豆甾醇和木犀草素。核心草药为丹参、延胡索、甘草、钩藤和降香。发现这些草药药性多温热,味多辛,归经主要为肝、肺经。分子对接结果表明,大多数核心成分无论在网络内还是网络外组合中,均对靶点组合表现出较强的结合活性。

结论

本研究结果表明,草药在治疗MCI方面具有巨大潜力。本研究为MCI草药治疗的临床应用、实验研究及新药开发提供了参考和依据。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/76b2/9132671/019c8fdb5fd6/ECAM2022-2478940.001.jpg

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