中国临床药理学杂志

基于生物信息分析探讨中药治疗孤独症谱系障碍-注意力缺陷多动障碍共患病的药理学研究

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孙可馨 ¹ , 冯鹏 ² , 黄爽 ¹ , 姚景曦 ¹ , 魏星 ¹ , 李梦雪 ¹ , 黄立威 ¹ , 史正刚 ¹

中国临床药理学杂志 | 研究方法 2025,41(19): 2788-2804

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中国临床药理学杂志 |研究方法 2025 , 41 (19) : 2788 -2804

基于生物信息分析探讨中药治疗孤独症谱系障碍-注意力缺陷多动障碍共患病的药理学研究

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孙可馨¹, 冯鹏², 黄爽¹, 姚景曦¹, 魏星¹, 李梦雪¹, 黄立威¹, 史正刚¹

作者信息

^1.甘肃中医药大学中医临床学院，甘肃兰州 730000

^2.河西学院医学院，甘肃张掖 734000

通讯作者:

史正刚，教授，博士生导师 Tel: 13993196511 E-mail: szg@gszy.edu.cn

作者简介:

孙可馨（2000-），女，从事小儿神经精神疾病的防治研究

Bioinformatics-based analysis to explore the pharmacology of traditional Chinese medicine in the treatment of autism spectrum disorders-attention-deficit hyperactivity disorder co-morbidities

Ke-xin SUN¹, Peng FENG², Shuang HUANG¹, Jing-xi YAO¹, Xing WEI¹, Meng-xue LI¹, Li-wei HUANG¹, Zheng-gang SHI¹

Affiliations

^1.Clinical College of Traditional Chinese Medicine, Gansu University of Chinese Medicine, Lanzhou 730000, Gansu Province, China

^2.School of Medicine, Hexi University, Zhangye 734000, Gansu Province, China

出版时间: 2025-10-17 doi: 10.13699/j.cnki.1001-6821.2025.19.015

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摘要

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目的

基于数据挖掘、网络药理学及分子对接技术，揭示中药复方中治疗孤独症谱系障碍（ASD）和注意力缺陷多动障碍（ADHD）的用药规律以及核心药对的分子作用机制，探讨中药治疗ASD共患ADHD的可能有效途径。通过对比ASD和ADHD的发病机制，所得核心药对的药理作用，寻找中药治疗ASD-ADHD共患病的用药思路。

方法

运用Microsoft Excel 2016、SPSS Modeler 18.0等软件对满足纳入标准的复方进行统计处理和关联分析，并筛选出核心药对。在数据挖掘结果的基础上，借助（TCMSP）、GeneCards等数据库收集ASD、ADHD以及核心药对的靶点，将靶点重合部分视为关键靶点。使用数据库对关键靶点进行基因本体（GO）富集分析和京都基因和基因组百科全书（KEGG）富集分析。运用AutodockTools1.5.6和PyMol 3.1软件对核心药对的活性成分与关键靶点进行分子对接。

结果

共筛选出ASD中药处方63个，ADHD中药处方105个，可视化网络显示，治疗2种疾病的核心药对均为石菖蒲-远志。根据网络药理学了解到石菖蒲-远志能够通过多途径、多靶点来调节ASD和ADHD。分子对接结果显示，石菖蒲-远志中的主要活性成分与关键靶点之间均具有良好的结合力。

结论

中药复方中治疗ASD和ADHD的核心药对均为石菖蒲-远志，其可能通过多种不同途径对ASD共患ADHD发挥作用，为中医药治疗ASD-ADHD共患病提供了可能的方向。

关键词

石菖蒲 / 远志 / 孤独症谱系障碍-注意力缺陷多动障碍共患病 / 生物信息学 / 药理学

Abstract

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Objective

Based on data mining, network pharmacology and molecular docking technology, we reveal the medication pattern and the molecular mechanism of action of the core pairs of medicines in traditional Chinese medicine (TCM) compounding for the treatment of autism spectrum disorders (ASD) and attention-deficit hyperactivity disorder (ADHD), and explore the possible effective ways of Chinese medicines for the treatment of co-morbidities of ASD-ADHD. By comparing the pathogenesis of ASD and ADHD and the pharmacological effects of the obtained core pairs, we are searching for the medication ideas of traditional Chinese medicine for the treatment of ASD-ADHD co-occurring disorders.

Methods

Microsoft Excel 2016, SPSS Modeler 18.0 and other software were used to perform statistical processing, association analysis, and screening of core drug pairs for the compounded prescriptions that met the inclusion criteria. On the basis of the data mining results, the targets of ASD, ADHD, and the core drug pairs were collected with the help of databases such as TCMSP, GeneCards, etc., and the part of target overlap was regarded as the key target. Gene ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis were performed on the key targets using the databases. Molecular docking of the active ingredients of the core drug pairs with the key targets was performed using AutodockTools 1.5.6 and PyMol 3.1.

Results

A total of 63 herbal prescriptions for ASD and 105 herbal prescriptions for ADHD were screened, and the visualisation network showed that the core pair of medicines for treating both diseases was Acori Tataninowii Rhizoma-Polygalae Radix. Based on the network pharmacology, it was learnt that Acori Tataninowii Rhizoma-Polygalae Radix was able to regulate ASD and ADHD through multiple pathways and targets, and the molecular docking results showed that the main active ingredients in Acori Tataninowii Rhizoma-Polygalae Radix had a good binding affinity with the key targets.

Conclusion

The core drug pairs in the TCM compound formula for treating ASD and ADHD are both Acori Tataninowii Rhizoma-Polygalae Radix, which may play a role in the treatment of co-morbid ASD and ADHD through different mechanisms mediated by different core targets, providing a possible direction for the treatment of co-morbid ASD and ADHD with TCM.

Key words

Acori Tataninowii Rhizoma / polygalae radix / co-morbid autism spectrum disorderand attention deficit and hyperactivity disorder / bioinformatics / pharmacology

引用本文

孙可馨, 冯鹏, 黄爽, 姚景曦, 魏星, 李梦雪, 黄立威, 史正刚. 基于生物信息分析探讨中药治疗孤独症谱系障碍-注意力缺陷多动障碍共患病的药理学研究. 中国临床药理学杂志, 2025 , 41 (19) : 2788 -2804 . DOI: 10.13699/j.cnki.1001-6821.2025.19.015

Ke-xin SUN, Peng FENG, Shuang HUANG, Jing-xi YAO, Xing WEI, Meng-xue LI, Li-wei HUANG, Zheng-gang SHI. Bioinformatics-based analysis to explore the pharmacology of traditional Chinese medicine in the treatment of autism spectrum disorders-attention-deficit hyperactivity disorder co-morbidities[J]. Chinese Journal of Clinical Pharmacology, 2025 , 41 (19) : 2788 -2804 . DOI: 10.13699/j.cnki.1001-6821.2025.19.015

基金

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国家自然科学基金资助项目(82460951)

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2025年第41卷第19期

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文章信息

doi: 10.13699/j.cnki.1001-6821.2025.19.015

接收时间：2025-07-02
首发时间：2026-08-05
出版时间：2025-10-17

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收稿日期：2025-07-02

基金

国家自然科学基金资助项目(82460951)

作者信息

^1.甘肃中医药大学中医临床学院，甘肃兰州 730000

^2.河西学院医学院，甘肃张掖 734000

通讯作者:

史正刚，教授，博士生导师 Tel: 13993196511 E-mail: szg@gszy.edu.cn

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https://castjournals.cast.org.cn/joweb/zglcylxzz/CN/10.13699/j.cnki.1001-6821.2025.19.015

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2种不同金属材料的力学参数

科 Family	属数 Number of genus	种数 Number of species	占总种数比例 Percentage of total species (%)	属 Genus	种数 Number of species	占总种数比例 Percentage of total species (%)
鹅膏菌科Amanitaceae	2	11	5.26	鹅膏菌属 Amanita	10	4.78
小菇科 Mycenaceae	2	12	5.74	丝盖伞属 Inocybe	5	2.39
多孔菌科 Polyporaceae	8	14	6.70	蜡蘑属 Laccaria	5	2.39
红菇科 Russulaceae	3	23	11.00	小皮伞属 Marasmius	6	2.87
				小菇属 Mycena	11	5.26
				光柄菇属 Pluteus	5	2.39
				红菇属 Russula	17	8.13
				栓菌属 Trametes	5	2.39

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