目的 通過哌甲酯靶點(diǎn)導(dǎo)向的中藥網(wǎng)絡(luò)藥理學(xué)方法，探討中藥治療注意缺陷多動(dòng)障礙（ADHD）的分子機(jī)制和用藥規(guī)律。方法 采用網(wǎng)絡(luò)藥理學(xué)方法，通過SwissTargetPrediction和多個(gè)數(shù)據(jù)庫預(yù)測哌甲酯與ADHD的共同靶基因，基于ADME參數(shù)和Lipinski規(guī)則篩選作用于共同靶基因的化合物。利用GeneMANIA和Cytoscape構(gòu)建蛋白質(zhì)-蛋白質(zhì)相互作用（PPI）網(wǎng)絡(luò)，Biozeron Cloud Platform進(jìn)行基因本體（GO）和京都基因與基因組百科全書（KEGG）分析，揭示靶基因功能。構(gòu)建“靶基因-化合物-中藥”網(wǎng)絡(luò)，篩選候選中藥，分析候選中藥屬性和功能，并采用微詞云平臺進(jìn)行數(shù)據(jù)可視化。結(jié)果 共識別出49個(gè)哌甲酯與ADHD的共同靶基因。共同靶基因PPI網(wǎng)絡(luò)和GO/KEGG分析揭示了神經(jīng)系統(tǒng)和神經(jīng)遞質(zhì)信號傳遞的關(guān)鍵通路。篩選出567個(gè)化合物和416個(gè)候選中藥。構(gòu)建的網(wǎng)絡(luò)圖識別出甘草、丹參等與ADHD治療相關(guān)的高頻中藥，通過對候選中藥的性、味、歸經(jīng)和功能的頻次分析，發(fā)現(xiàn)候選藥物性味以苦、寒為主，歸經(jīng)以肝、肺、胃較為突出，清熱、解毒、止痛、消腫等功能頻繁出現(xiàn)。結(jié)論 以哌甲酯治療ADHD的靶點(diǎn)為導(dǎo)向，運(yùn)用中藥網(wǎng)絡(luò)藥理學(xué)的方法，逆向解析了治療ADHD的分子機(jī)制和用藥規(guī)律。候選藥物顯示出多成分、多靶點(diǎn)、多路徑治療ADHD的潛力，為ADHD的臨床和基礎(chǔ)研究的深入探索提供了新的思路。

Objective To explore the molecular mechanisms and medication patterns of traditional Chinese medicine (TCM) in the treatment of attention deficit hyperactivity disorder (ADHD) using a network pharmacology approach guided by methylphenidate targets. Methods A network pharmacology method was employed to predict common targets of methylphenidate and ADHD using Swiss TargetPrediction and multiple databases. Compounds acting on these common targets were screened based on ADME parameters and Lipinski's rules. PPI networks were constructed using GeneMANIA and Cytoscape, and GO and KEGG analyses were performed using Biozeron Cloud Platform to reveal the functions of the targets. A "target-compound-TCM" network was constructed to screen candidate TCMs, analyze their properties and functions, and the Microcloud platform was used for data visualization. Results A total of 49 common target genes between methylphenidate and ADHD were identified. Core target gene PPI networks and GO/KEGG analyses revealed key pathways in the nervous system and neurotransmitter signaling. A total of 567 compounds and 416 candidate TCMs were screened. The constructed network identified high-frequency TCMs related to ADHD treatment, such as licorice and salvia, and through frequency analysis of the properties, flavors, meridians, and functions of candidate TCMs, it was found that the candidate drugs were predominantly bitter and cold, with liver, lung, and stomach meridians being prominent, and functions such as heat-clearing, detoxification, analgesia, and anti-inflammatory effects were frequently observed. Conclusion This study, guided by the targets of methylphenidate in treating ADHD, used network pharmacology methods to reverse-engineer the molecular mechanisms and medication patterns of ADHD treatment. The candidate drugs showed potential for treating ADHD with multiple components, targets, and pathways, providing new insights for in-depth exploration of clinical and basic research on ADHD.

R285.5

國家自然科學(xué)基金青年項(xiàng)目（82104300）；武漢市衛(wèi)生健康委中醫(yī)類科研項(xiàng)目（WZ21A07， WZ22Q07）；武漢藥學(xué)會(huì)第二屆醫(yī)院藥學(xué)學(xué)科發(fā)展項(xiàng)目孵化營（WHPA202307007）