摘要
【目的】探讨固本祛湿化瘀方治疗银屑病复发的主要活性成分及潜在分子机制。【方法】采用超高效液相色谱-质谱联用(UPLC-Q-TOF/MS)技术对固本祛湿化瘀方进行全方和入血成分分析,并利用分子对接技术研究入血成分与银屑病相关的免疫调节蛋白CD69、CD103蛋白的结合情况。【结果】质谱分析鉴定了芍药苷等21个固本祛湿化瘀方中的有效成分,包括若干已知抗炎和免疫调节化合物。入血成分分析鉴定了芍药苷等11种可能通过血液循环影响银屑病进程的成分。分子对接研究发现,落新妇苷、异落新妇苷、绿原酸、新绿原酸、隐绿原酸、绣线菊苷、芍药苷、芒柄花苷等入血成分均与CD69和CD103蛋白有较高的结合亲和力。【结论】揭示了固本祛湿化瘀方的主要有效成分及其潜在的调控银屑病复发的机制,为其进一步的药理研究和临床应用提供了科学依据。
Objective To clarify the active ingredients and the potential molecular mechanism of Guben Qushi Huayu Prescription in treating psoriasis recurrence.Methods An ultra performance liquid chromatography-quadrupole time-of-flight mass spectrometry(UPLC-Q-TOF/MS)was applied to analyze the whole formula and the constituents absorbed into blood of Guben Qushi Huayu Prescription,and molecular docking technology was used to study the binding affinity of the constituents absorbed into blood with psoriasis-related immunomodulatory proteins such as CD69 and CD103 proteins.Results Mass spectrometry analysis identified 21 active ingredients such as paeoniflorin in Guben Qushi Huayu Prescription,including several known anti-inflammatory and immunomodulatory compounds.Analysis of the constituents absorbed into blood identified 11 ingredients,including paeoniflorin,that may affect the course of psoriasis through blood circulation.Molecular docking studies revealed that the constituents absorbed into blood,including astilbin,isoastilbin,chlorogenic acid,neochlorogenic acid,cryptochlorogenic acid,helicine,paeoniflorin,ononin,all had high binding affinities with CD69 and CD103 proteins.Conclusion This research reveals the main active ingredients of Guben Qushi Huayu Prescription and their potential mechanism for regulating the recurrence of psoriasis by mass spectrometry and molecular docking technology,contributing to providing scientific basis for further pharmacological research and clinical application.
作者
陈海明
王琪
郑旭威
杨玉洁
翟燕娟
李松
陈盛君
王协和
唐斌
徐以亮
卢传坚
CHEN Haiming;WANG Qi;ZHENG Xuwei;YANG Yujie;ZHAI Yanjuan;LI Song;CHEN Shengjun;WANG Xiehe;TANG Bin;XU Yiliang;LU Chuanjian(State Key Laboratory of Dampness Syndrome of Chinese Medicine(The Second Affiliated Hospital of Guangzhou University of Chinese Medicine),Guangzhou 510120 Guangdong,China;Guangdong-Hong Kong-Macao Joint Laboratory for Traditional Chinese Medicine and Immune Diseases Research,Guangzhou 510120 Guangdong,China;Jiangyin Tianjiang Pharmaceutical Co.,LTD.,Jiangyin 214429 Jiangsu,China)
出处
《广州中医药大学学报》
2025年第1期176-184,共9页
Journal of Guangzhou University of Traditional Chinese Medicine
基金
省部共建中医湿证国家重点实验室课题(编号:SZ2021ZZ34,SZ2021ZZ45)
国家自然科学基金资助项目(编号:U23A6012,U20A20397)
广东省中医院“拔尖人才”计划项目(编号:BJ2022KY02)。
