基于加权基因共表达网络分析和分子对接的川乌-黄柏配伍治疗复发性阿弗他溃疡的网络药理学研究及实验验证
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中图分类号：R288 文献标志码：A 文章编号：1002-4026（2026）01-0031-12
开放科学（资源服务）标志码（OSID）
Network pharmacology study and experimental validation of the Radix
Aconiti-Cortex Phellodendri combination for the treatment of recurrent aphthous ulcers based on weighted gene co-expression network analysis and molecular docking
CAO Mingchen， JING Fanbo，WANG Wenxiao， ZHANG Zenan， LI Wenjing， CHENG Shaoyuan，SHAO Yanlin，YU Hongxia，MENG Fangang’（The Affiliated Hospital of Qingdao University，Qingdao 26630o，China）
Abstract ： We investigated the molecular mechanisms underlying the treatment of recurent aphthous ulcers（RAU）using the Radix Aconiti-Cortex Phelodendricombination，basedon weighted gene co-expressionnetwork analysis（WGCNA）and networkpharmacology.Atotalof30lactivecompoundswereidentifiedfromthe RadixAconiti-CortexPhellodendri combination，associated with 3273 potential targets.WGCNA was used toanalyze RAU-related genes.The Venn diagram package in R software was employed to identify intersections between drug-related targets and WGCNA modules.Pathway and process enrichment analyses，along with hierarchical clustering，wereconducted using KEGG Pathway，GO Biological Processes，and Reactome Gene Sets.These analyses highlighted involvement inapoptosis regulationand signaling， glutathione metabolism，Pl3K signalingabnormalities，resistance toepidermal growth factorreceptortyrosinekinase inhibitors，cytokine signaling in the immune system，the PPAR- ⋅∝ pathway，and other processes related to immune regulation，metabolism，andtisserepair.Using the MCODEplugininCytoscapev3.7.2，keyhubgeneswithinfunctionalmodules wereidentified，including ERBB2，CD44，NFKB1，and MMP2.Moleculardockingshowed thatERBB2 interacted withmostactive compounds；diterpenoidalkaloidsfromAconitumandflavonoidsfromPhelodendron primarilytargetedCD44；alkaloidsfrom PhellodendrontargetedMMP2；andbothmonoesteranddiesterAconitumalkaloidsmainlytargeted NFKB1.Thesefindings suggestacomplementaryandsynergisticeffectbetween thetwoherbsinpreventingRAUrecurrence.Experimentalvalidation showedthat benzoylmesaconine，acorecompound，significantlyreducedLPS-induced ROSlevelsinmacrophages，indicating thatRadixAconiti，astheprincipal herb（JunYao），exertsitstherapeuticeffectsprimarilythroughmetabolicregulation.
Key words ∇：σ weighted gene co-expression network analysis（WGCNA）； recurrent aphthous ulcers； systemicpharmacology；Radix Aconiti； Cortex Phellodendri
复发性阿弗他溃疡（recurrentaphthousulcer，RAU）发病率约 10%～25% ，居口腔黏膜类疾病首位[1]，是临床最常见的口腔黏膜病。（剩余12356字）
