Li Pengxing, Chen Lizhu, Liu Jianhui
Department of Gastrointestinal Surgery, Shaowu Municiple Hospital of Fujian Province, Nanping, China.
Department of Medical Oncology, Clinical Oncology School of Fujian Medical University, Fujian Cancer Hospital, Fuzhou, China.
Front Med (Lausanne). 2024 Sep 16;11:1454776. doi: 10.3389/fmed.2024.1454776. eCollection 2024.
Safflower, phellodendron, scutellaria baicalensis, coptis, and gardenia (SPSCG) are medicinal plants with a wide range of anti-inflammatory and antioxidant effects. However, the related mechanism of SPSCG against hand-foot syndrome (HFS) has yet to be revealed.
To investigate the mechanisms of SPSCG in the treatment of HFS using the Network Pharmacology.
Active ingredients and targets of SPSCG for HFS were screened by the Chinese Medicine Systems Pharmacology (TCMSP) and Swiss Target Prediction databases. Potential therapeutic targets were collected from the GeneCards and OMIM databases. Subsequently, protein-protein interactions (PPI), Gene Ontology (GO) annotations, and pathways from the Kyoto Encyclopedia of Genes and Genomes (KEGG) were performed to investigate the potential mechanism of the SPSCG in HFS. Then, molecular docking and molecular dynamics simulations were performed to predict the binding interactions between the active compound and the core target. Finally, vitro experiments were used to verify the repair effect of key ingredients of SPSCG on cell damage caused by 5-Fluorouracil.
Quercetin, kaempferol, β-sitosterol, and stigmasterol were identified as the major active components of SPSCG. GO analysis showed a total of 1,127 biological processes, 42 terms cellular components, and 57 molecular functions. KEGG analysis showed that the MAPK, TNF, and IL-17 signaling pathways were significantly enriched. The PPI analysis discovered that EGFR, CASP3, AKT1, CCND1, and CTNNB1 shared the highest centrality among all target genes. The experimental results confirmed that these SPSCG active ingredients could treat HFS by reducing inflammation reaction and promoting cell damage repair.
SPSCG may alleviate HFS by exerting antioxidative effects and suppressing inflammatory responses.
红花、黄柏、黄芩、黄连和栀子（SPSCG）是具有广泛抗炎和抗氧化作用的药用植物。然而，SPSCG抗手足综合征（HFS）的相关机制尚未明确。
采用网络药理学研究SPSCG治疗HFS的机制。
通过中药系统药理学（TCMSP）和瑞士靶点预测数据库筛选SPSCG治疗HFS的活性成分和靶点。从GeneCards和OMIM数据库收集潜在治疗靶点。随后，进行蛋白质-蛋白质相互作用（PPI）、基因本体（GO）注释以及京都基因与基因组百科全书（KEGG）通路分析，以研究SPSCG在HFS中的潜在机制。然后，进行分子对接和分子动力学模拟，预测活性化合物与核心靶点之间的结合相互作用。最后，通过体外实验验证SPSCG关键成分对5-氟尿嘧啶所致细胞损伤的修复作用。
槲皮素、山奈酚、β-谷甾醇和豆甾醇被确定为SPSCG的主要活性成分。GO分析显示共有1127个生物学过程、42个细胞组成术语和57个分子功能。KEGG分析表明，MAPK、TNF和IL-17信号通路显著富集。PPI分析发现，EGFR、CASP3、AKT1、CCND1和CTNNB1在所有靶基因中具有最高的中心性。实验结果证实，这些SPSCG活性成分可通过减轻炎症反应和促进细胞损伤修复来治疗HFS。
SPSCG可能通过发挥抗氧化作用和抑制炎症反应来缓解HFS。
