中国药物警戒 ›› 2025, Vol. 22 ›› Issue (5): 501-506.
DOI: 10.19803/j.1672-8629.20250086

• 中药抗感染作用机制研究专栏 • 上一篇    下一篇

金花清感颗粒抗呼吸道病毒作用的潜在靶点和成分分析

刘宪1, 张宇1, 白颖璐2, 崔梦瑶1, 杨晓微1, 谢丹1, 耿子涵1, 孙静1, 李舒冉1, 包蕾1, 赵荣华1, 徐霄龙2,3#, 郭姗姗1,*   

  1. 1中国中医科学院中药研究所,北京 100700;
    2首都医科大学附属北京中医医院急诊与危重症救治中心,北京 100010;
    3北京市中医药研究所病生理室,北京 100010
  • 收稿日期:2025-02-12 出版日期:2025-05-15 发布日期:2025-05-19
  • 通讯作者: *郭姗姗,女,博士,研究员,中药抗病毒与抗感染药理。E-mail: ssguo@icmm.ac.cn;#为共同通信作者。
  • 作者简介:刘宪,女,博士,中药药理。
  • 基金资助:
    北京市自然科学基金资助项目（7252250、L222130）; 中国中医科学院科技创新工程项目资助（CI2024E003、CI2023E002）; 国家科技重大专项（2024ZD0528801）; 国家自然科学基金资助项目（82151210）

Potential Targets and Components of Jinhua Qinggan Granules against Respiratory Viral Infections

LIU Xian1, ZHANG Yu1, BAI Yinglu2, CUI Mengyao1, YANG Xiaowei1, XIE Dan1, GENG Zihan1, SUN Jing1, LI Shuran1, BAO Lei1, ZHAO Ronghua1, XU Xiaolong2,3#, GUO Shanshan1,*   

  1. 1Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China;
    2Emergency and Critical Care Center, Beijing Hospital of Traditional Chinese Medicine Affiliated to Capital Medical University, Beijing 100010, China;
    3Pathophysiology Laboratory, Beijing Institute of Traditional Chinese Medicine, Beijing 100010, China
  • Received:2025-02-12 Online:2025-05-15 Published:2025-05-19

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摘要： 目的 确认金花清感颗粒（JHQG）的入血成分中与PACT蛋白相关的活性成分,为抗病毒药物的研发提供参考。方法 采用高效液相色谱-串联质谱（HPLC-MS/MS）技术对JHQG的入血成分进行检测;设置CM5芯片空白对照组和JHQG组,使用CM5芯片固定PACT蛋白,运用表面等离子共振（SPR）技术,进行JHQG与PACT蛋白芯片的垂钓回收;采用超高效液相色谱-四极杆飞行时间质谱（UPLC-Q-TOF-MS）技术对回收液样品进行成分鉴定,明确JHQG中能够与PACT蛋白特异性结合的活性成分;并对已明确的成分进行分子对接,评估结合能。结果 共鉴定出14种来源于JHQG的活性成分。其中正离子模式下鉴定出6种活性成分,分别为甘草次酸、葛根素、汉黄芩素、芒柄花黄素、牡荆素、6-O-甲基黄芩苷。负离子模式8种活性成分,分别为滨蒿内酯、3α-羟基甘草次酸、黄芩苷、黄豆苷元、(-)-MenthylO-Beta-D-Glucoside、儿茶素、芍药内酯苷、甘草黄酮A。其中与PACT蛋白结合力较强的4种成分为黄芩苷、甘草次酸、芍药内酯苷、甘草黄酮A,亲和力分别为-7.1、-6.9、-6.6、-6.5。结论 利用PACT蛋白芯片联合UPLC-Q-TOF-MS有效鉴定JHQG中能够与PACT蛋白结合的配体化合物,提示PACT蛋白可作为JHQG抗呼吸道病毒的潜在靶点。

关键词: 金花清感颗粒, 活性成分, 抗呼吸道病毒, PACT蛋白, 靶点, 配体化合物

Abstract: Objective To identify the bioactive components in Jinhua Qinggan granules (JHQGs) that interact with the PACT protein in order to provide references for the development of antiviral drugs. Methods High-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) was employed to detect the blood components of JHQGs. A CM5 chip blank control group and JHQG group were set up. The PACT protein was immobilized on the CM5 chip, and surface plasmon resonance (SPR) technology was used for the fishing and recovery of JHQGs with the PACT protein chip. Ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) was used to identify the components in the recovered samples and detect the bioactive components in JHQGs that could specifically bind to the PACT protein. Molecular docking was performed on the identified components to evaluate binding energies. Results A total of 14 bioactive components were identified out of JHQGs. In the positive ion mode, six active components were identified, namely glycyrrhetinic acid, puerarin, baicalein, formononetin, vitexin, and 6-O-methylwogonoside. In the negative ion mode, eight active components were identified, namely artemetin, 3α-hydroxyglycyrrhetinic acid, baicalin, genistein, (-)-MenthylO-Beta-D-Glucoside, catechin, paeoniflorin, and licoflavone A. Among them, the four components with stronger binding affinity to the PACT protein were baicalin, glycyrrhetinic acid, paeoniflorin, and licoflavone A, with binding affinities of -7.1, -6.9, -6.6, and -6.5, respectively. Conclusion For the first time, the PACT protein chip combined with UPLC-Q-TOF-MS has been effectively used to identify the ligand compounds in JHQGs that bind to PACT protein, suggesting that the PACT protein could serve as a potential target for the anti-respiratory viral activity of JHQGs.

Key words: Jinhua Qinggan Granules, Active Components, Anti-Respiratory Virus, PACT Protein, Target, Ligand Comp-ounds

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