目的 運用網(wǎng)絡藥理學及分子對接技術研究蜈蚣抗膠質母細胞瘤的多成分、多靶點、多通路作用機制。方法 通過BATMAN-TCM、HERB數(shù)據(jù)庫以及文獻查找獲得蜈蚣的相關成分，并通過SwissTargetPrediction預測靶點；在GeneCards、OMIM、TTD數(shù)據(jù)庫查找獲得膠質母細胞瘤的相關靶點；將二者匯總去重后取交集得到蜈蚣抗膠質母細胞瘤的潛在靶點。將交集基因導入STRING進行蛋白相互作用（PPI）分析后生成PPI網(wǎng)絡圖，用Cytoscape進行網(wǎng)絡拓撲分析，并利用CytoNCA插件確定核心靶點和核心藥物成分，并做“藥物–成分–靶點”圖。在DAVID數(shù)據(jù)庫開展基因本體（GO）生物功能及京都基因與基因組百科全書（KEGG）通路富集分析，用Cytoscape繪制“藥物成分–疾病靶點–通路”圖。通過AutoDock Vina進行分子對接驗證。結果 篩選出蜈蚣有效成分46個，靶點708個。膠質母細胞瘤靶點2 151個，得到180個交集基因。GO富集分析得到997個條目，153個KEGG富集分析通路，主要涉及癌癥途徑、細胞凋亡、磷脂酰肌醇3-激酶（PI3K）/蛋白激酶B1（Akt）信號通路、腫瘤壞死因子信號通路和ErbB信號通路等。通過CytoNCA分析篩選出Akt1、致癌轉錄因子信號轉導和轉錄激活因子3（STAT3）、表皮生長因子受體（EGFR）、轉錄因子（JUN）、原癌基因酪氨酸蛋白激酶（Src）等可能為核心靶點，環(huán)(L-苯丙-L-酪)二肽、環(huán)(L-苯丙-L-脯)二肽、環(huán)(L-纈-L-脯)二肽、N-乙酰基-2-苯基乙胺、環(huán)(L-亮-L-脯)二肽等可能為蜈蚣抗膠質母細胞瘤的核心成分。分子對接驗證得出，核心成分與核心靶點均能較好結合。結論 蜈蚣抗膠質母細胞瘤涉及環(huán)(L-苯丙-L-酪)二肽、環(huán)(L-苯丙-L-脯)二肽、環(huán)(L-纈-L-脯)二肽、N-乙?；?2-苯基乙胺、環(huán)(L-亮-L-脯)二肽，Akt1、STAT3、EGFR、JUN、Src和PI3K/Akt信號通路、腫瘤壞死因子信號通路和ErbB信號通路等多成分、多靶點、多通路途徑。

Objective To investigate the multi-component, multi-target, and multi-pathway mechanism of Scolopendra subspinipes mutilans in treating glioblastoma by using network pharmacology and molecular docking technology. Methods The related components of Scolopendra subspinipes mutilans were obtained through BATMAN-TCM, HERB databases and literature search, and the targets were predicted by SwissTargetPrediction. The related targets of glioblastoma were obtained from GeneCards, OMIM, and TTD databases. The potential targets of Scolopendra subspinipes mutilans in treating glioblastoma were obtained by summarizing and removing duplicates of the two. The intersection genes were imported into STRING for PPI analysis to generate a PPI network diagram, and network topology analysis was performed using Cytoscape. The core targets and core drug components were determined using the CytoNCA plugin, and a “drug – component-target” diagram was made. GO biological function and KEGG pathway enrichment analysis were conducted in the DAVID database, and a “drug component-disease target-pathway” diagram was drawn using Cytoscape. Molecular docking verification was then performed using AutoDock Vina. Results There were 46 effective components of centipedes and 708 targets were screened out. There were 2 151 targets of glioblastoma, and 180 intersection genes were obtained. GO enrichment analysis yielded 997 items, and 153 KEGG enrichment analysis pathways were obtained, mainly involving cancer pathways, apoptosis, PI3K/Akt signaling pathway, TNF signaling pathway, and ErbB signaling pathway, etc. Through CytoNCA analysis, Akt1, STAT3, EGFR, JUN, Src were screened out as possible core targets, and cyclo-(L-Phe-L-Tyr), cyclo-(L-Phe-L-Pro), cyclo-(L-Val-L-Pro), N-(2-phenylethyl) acetamide, cyclo-(L-Leu-L-Pro) were screened out as possible core components of Scolopendra subspinipes mutilans in treating glioblastoma. Molecular docking verification showed that the core components and core targets could bind well. Conclusion Scolopendra subspinipes mutilans in treating glioblastoma involves cyclo-(L-Phe-L-Tyr), cyclo-(L-Phe-L-Pro), cyclo-(L-Val-L-Pro), N-(2-phenylethyl) acetamide, cyclo-(L-Leu-L-Pro), Akt1, STAT3, EGFR, JUN, Src, and PI3K/Akt, TNF, and ErbB signaling pathways through multi-component, multi-target, and multi-pathway approaches.

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國家自然科學基金面上項目（82274498）；中央引導地方科技發(fā)展資金項目（YDZJSX2025D082）；山西省科技創(chuàng)新人才團隊專項計劃（202304051001046）；山西省中醫(yī)藥管理局中醫(yī)藥創(chuàng)新團隊建設計劃（zyytd2024007）；山西省衛(wèi)健委科研項目（2022082）