目的 通过网络药理学和分子对接技术探究湿润烧伤膏治疗放射性皮炎的作用机制。方法 从中药系统药理学数据库与分析平台（TCMSP）和HERB数据库中检索湿润烧伤膏的所有成分。使用UniProt和GeneCards、OMIM、TTD数据库检索靶点对应的基因。使用Cytoscape 3.10.0构建网络图。使用STRING数据库构建蛋白相互作用（PPI）网络。使用基因本体（GO）功能和京都基因与基因组百科全书（KEGG）通路富集分析湿润烧伤膏的核心靶点。将湿润烧伤膏的主要活性成分与核心靶点进行分子对接。结果 活性成分–靶点网络主要包含98个成分和412靶点。关键靶点包括肿瘤坏死因子（TNF）、白细胞介素-1β（IL-1β）、白细胞介素-6（IL-6）、肿瘤蛋白53（TP53）和半胱氨酸天冬氨酸蛋白酶-3（CASP3）。生物过程（BP）主要包括程序性细胞死亡的正向调控、对外来化学物质的反应、炎症反应的调节、对伤口的反应等；细胞组分（CC）主要包括膜筏、质膜的外侧、囊泡腔室、蛋白酶抑制复合体等；分子功能（MF）主要包括转录因子结合、激酶结合、蛋白质特定区域结合、蛋白质激酶活性、泛素样蛋白连接酶结合、整合素结合、细胞因子受体结合。KEGG通路主要包括癌症中的信号通路、脂质代谢与动脉粥样硬化、磷脂酰肌醇3激酶/蛋白激酶B（PI3K/Akt）、核因子-κB（NF-κB）、FoxO转录因子、Janus激酶-信号转导和转录激活因子（JAK-STAT）等信号通路。Degree值前5位的活性成分包括槲皮素、黄芩素、棕榈酸甲酯、尿黑酸和汉黄芩素，分子对接结果显示湿润烧伤膏的活性成分与放射性皮炎核心靶点的结合活性较好。结论 湿润烧伤膏可能通过IL-6、IL-1β、TNF、TP53、CASP3等靶点，调控JAK/STAT、NF-κB、PI3K/Akt等信号通路发挥治疗放射性皮炎的作用。

Objective To explore the mechanism of Shirun Shaoshang Ointment in treatment of radiation dermatitis based on network pharmacology and molecular docking. Methods All ingredients of Shirun Shaoshang Ointment were retrieved from the TCMSP and the HERB database. The genes corresponding to the targets were retrieved using UniProt, GeneCards, OMIM, and TTD databases. The network graph was constructed using Cytoscape 3.10.0. The PPI network was constructed using the STRING database. The core targets of Shirun Shaoshang Ointment were analyzed using GO and KEGG. The main active ingredients of Shirun Shaoshang Ointment were molecularly docked with the core targets. Results The “active ingredient-target” network mainly includes 98 ingredients and 412 targets. Key targets include IL-6, IL-1β, TNF, TP53, and CASP3, etc. BP mainly included the positive regulation of programmed cell death, the response to foreign chemicals, the regulation of inflammatory response, and the response to wounds. CC mainly included membrane rafts, the outer side of the plasma membrane, vesicle compartments, protease inhibitory complexes, etc. MF mainly included transcription factor binding, kinase binding, protein-specific region binding, protein kinase activity, ubiquitin-like protein ligase binding, integrin binding, and cytokine receptor binding. The KEGG pathway mainly included signaling pathways in cancer, lipid metabolism and atherosclerosis, PI3K/Akt, NF-κB, sugar FoxO transcription factor, JAK-STAT and other signaling pathways. The top five active components of Degree value included quercetin, baicalein, methyl palmitate, urocanic acid, and wogonin. Molecular docking results showed that the active ingredients of Shirun Shaoshang Ointment had good binding activity with the core targets of radiation dermatitis. Conclusion Shirun Shaoshang Ointment regulate signal pathways such as the JAK/STAT pathway, NF-κB pathway, and PI3K/Akt pathway through targets such as IL-6, IL-1β, TNF, TP53, and CASP3, thereby playing a role in treating radiation dermatitis.

R914;R986

广西青年岐黄学者培养项目(GXQH202422);广西中医药适宜技术开发与推广项目(GZSY20-36)