目的 通過(guò)網(wǎng)絡(luò)藥理學(xué)和分子對(duì)接技術(shù)探究濕潤(rùn)燒傷膏治療放射性皮炎的作用機(jī)制。方法 從中藥系統(tǒng)藥理學(xué)數(shù)據(jù)庫(kù)與分析平臺(tái)（TCMSP）和HERB數(shù)據(jù)庫(kù)中檢索濕潤(rùn)燒傷膏的所有成分。使用UniProt和GeneCards、OMIM、TTD數(shù)據(jù)庫(kù)檢索靶點(diǎn)對(duì)應(yīng)的基因。使用Cytoscape 3.10.0構(gòu)建網(wǎng)絡(luò)圖。使用STRING數(shù)據(jù)庫(kù)構(gòu)建蛋白相互作用（PPI）網(wǎng)絡(luò)。使用基因本體（GO）功能和京都基因與基因組百科全書(shū)（KEGG）通路富集分析濕潤(rùn)燒傷膏的核心靶點(diǎn)。將濕潤(rùn)燒傷膏的主要活性成分與核心靶點(diǎn)進(jìn)行分子對(duì)接。結(jié)果 活性成分–靶點(diǎn)網(wǎng)絡(luò)主要包含98個(gè)成分和412靶點(diǎn)。關(guān)鍵靶點(diǎn)包括腫瘤壞死因子（TNF）、白細(xì)胞介素-1β（IL-1β）、白細(xì)胞介素-6（IL-6）、腫瘤蛋白53（TP53）和半胱氨酸天冬氨酸蛋白酶-3（CASP3）。生物過(guò)程（BP）主要包括程序性細(xì)胞死亡的正向調(diào)控、對(duì)外來(lái)化學(xué)物質(zhì)的反應(yīng)、炎癥反應(yīng)的調(diào)節(jié)、對(duì)傷口的反應(yīng)等；細(xì)胞組分（CC）主要包括膜筏、質(zhì)膜的外側(cè)、囊泡腔室、蛋白酶抑制復(fù)合體等；分子功能（MF）主要包括轉(zhuǎn)錄因子結(jié)合、激酶結(jié)合、蛋白質(zhì)特定區(qū)域結(jié)合、蛋白質(zhì)激酶活性、泛素樣蛋白連接酶結(jié)合、整合素結(jié)合、細(xì)胞因子受體結(jié)合。KEGG通路主要包括癌癥中的信號(hào)通路、脂質(zhì)代謝與動(dòng)脈粥樣硬化、磷脂酰肌醇3激酶/蛋白激酶B（PI3K/Akt）、核因子-κB（NF-κB）、FoxO轉(zhuǎn)錄因子、Janus激酶-信號(hào)轉(zhuǎn)導(dǎo)和轉(zhuǎn)錄激活因子（JAK-STAT）等信號(hào)通路。Degree值前5位的活性成分包括槲皮素、黃芩素、棕櫚酸甲酯、尿黑酸和漢黃芩素，分子對(duì)接結(jié)果顯示濕潤(rùn)燒傷膏的活性成分與放射性皮炎核心靶點(diǎn)的結(jié)合活性較好。結(jié)論 濕潤(rùn)燒傷膏可能通過(guò)IL-6、IL-1β、TNF、TP53、CASP3等靶點(diǎn)，調(diào)控JAK/STAT、NF-κB、PI3K/Akt等信號(hào)通路發(fā)揮治療放射性皮炎的作用。

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

廣西青年岐黃學(xué)者培養(yǎng)項(xiàng)目(GXQH202422);廣西中醫(yī)藥適宜技術(shù)開(kāi)發(fā)與推廣項(xiàng)目(GZSY20-36)