天然产物研究与开发 ›› 2025, Vol. 37 ›› Issue (10): 1926-1941.doi: 10.16333/j.1001-6880.2025.10.014 cstr: 32307.14.1001-6880.2025.10.014

• 开发研究 • 上一篇    下一篇

基于UPLC-QE-Orbitrap-MS/MS和网络药理学探究三七主根提取物尾料的美白活性及作用机制

潘巧岭1,李文标1,陈  明2,赖树生2,吴  辉1,吴晓俊1,吴  焱3*,石海莲1*   

  1. 1上海市复方中药重点实验室,教育部中药标准化重点实验室,国家中医药管理局中药新资源与品质评价重点研究室,东盟中医药研究中心,上海中医药大学中药研究所,上海 201203；2广西三七综合利用技术重点实验室,广西中恒创新医药研究有限公司,梧州 543000；3复旦大学附属妇产科医院,上海200090
  • 出版日期:2025-10-31 发布日期:2025-10-30
  • 基金资助:
    上海市自然科学基金(23ZR1463100)；国家自然科学基金(82474132)；上海市复方中药重点实验室开放课题(21DZ2270500)

Whitening activity and mechanism of Panax notoginseng main root extract residues based on UPLC-QE-Orbitrap-MS/MS and network pharmacology 

PAN Qiao-ling1,LI Wen-biao1,CHEN Ming2,LAI Shu-sheng2,WU Hui1,WU Xiao-jun1,WU Yan3*,SHI Hai-lian1*   

  1. 1Shanghai Key Laboratory of Compound Chinese Medicines,the Ministry of Education (MOE) Key Laboratory for Standardization of Chinese Medicines,the SHTCM Key Laboratory for New Resources & Quality Evaluation of Chinese Medicine,Institute of Chinese Materia Medica,Shanghai University of Traditional Chinese Medicine,Shanghai 201203,China；2Guangxi Key Laboratory of Comprehensive Utilization Technology of Pseudo-ginseng,GUANGXIZHONGHENG Innovative Pharmaceutical Research Co.,Ltd.,Wuzhou 543000,China;3Obstetrics & Gynecology Hospital of Fudan University,Shanghai 200090,China
  • Online:2025-10-31 Published:2025-10-30

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摘要：

本研究应用超高效液相色谱-四极杆-静电场轨道阱高分辨质谱（UPLC-Q-Exactive-Orbitrap-MS/MS）技术鉴定三七主根提取物尾料（Panax notoginseng main root extract residues，PNMR-ER）主要成分，结合网络药理学和实验研究探究其美白活性成分及分子机制。采用UPLC-Q-Exactive-Orbitrap-MS/MS技术鉴定PNMR-ER成分，共鉴定出52种成分。在成分分析基础上，通过网络药理学方法建立可视化“成分-靶点”网络图，筛选到PNMR-ER主要美白活性成分为百秋李醇、蔗糖、柠檬酸、人参皂苷Re、人参皂苷F1、人参皂苷Rh1、异槲皮苷、人参皂苷Rh7、6'-丙二酰基人参皂苷Rd1、人参皂苷Rh4等，可能作用于丝裂原活化蛋白激酶 3（mitogen-activated protein kinase 3，MAPK3）、环腺苷酸反应元件结合蛋白1（cAMP responsive element binding protein 1，CREB1）等靶点，调控cAMP信号通路、MAPK信号通路发挥美白作用。最后通过实验验证，采用NaOH裂解法、L-Dopa氧化法检测，研究发现PNMR-ER及活性成分（如百秋李醇、柠檬酸、人参皂苷Rh1、异槲皮苷）可抑制细胞内黑色素合成和酪氨酸酶（tyrosinase，TYR）活性（P ＜ 0.05，P ＜ 0.01）；蛋白免疫印迹（Western blot）法检测发现，与α-黑素细胞刺激素（α-melanocyte-stimulating hormone，α-MSH）干预的模型组相比，PNMR-ER可剂量依赖性地抑制B16F10细胞小眼畸形相关转录因子（microphthalmia-associated transcription factor，MITF）、TYR，酪氨酸酶相关蛋白-1（tyrosinase-related protein-1，TRP-1）和相关蛋白-2（tyrosinase-related protein-2，TRP-2）的蛋白表达（P ＜ 0.05，P ＜ 0.01），也可下调B16F10 细胞CREB、细胞外信号调节激酶（extracellular signal-regulated kinase，ERK）、c-jun氨基末端激酶（c-Jun N-terminal kinase，JNK）和p38丝裂原活化蛋白激酶（p38 mitogen-activated protein kinases，p38 MAPK）的磷酸化水平（P ＜ 0.05，P ＜ 0.01）。本研究结果为PNMR-ER二次开发作为一种天然美白活性物质应用于美白化妆品中提供研究数据支持。

关键词: 三七主根提取物, 尾料, UPLC-QE-Orbitrap-MS /MS, 网络药理学, 美白活性, 作用机制

Abstract:

This study aimed to identify the main chemical components of Panax notoginseng main root extract residues (PNMR-ER) by UPLC-Q-Exactive-Orbitrap-MS/MS technology, and figure out the whitening activity and its underlying molecular mechanism of PNMR-ER by network pharmacology and experimental verification. Based on UPLC-Q-Exactive-Orbitrap-MS/MS technology, 52 components were identified in PNMR-ER. Furthermore, by a visual "component target" network diagram established by network pharmacology, and the main active ingredients with whitening activity selected from PNMR-ER were patchouli alcohol, sucrose, citric acid, ginsenoside Re, ginsenoside F1, ginsenoside Rh1, isoquercitrin, ginsenoside Rh7, 6'-malonyl ginsenoside Rd1, ginsenoside Rh4, and PNMR-ER may act on targets such as mitogen-activated protein kinase 3 (MAPK3), cAMP responsive element binding protein 1 (CREB1), and regulate the cAMP signaling pathway and MAPK signaling pathway to exert whitening activity. Finally, experimental verification showed that PNMR-ER and its active ingredients (such as patchouli alcohol, citric acid, ginsenoside Rh1, isoquercitrin) could inhibit intracellular melanin synthesis and tyrosinase (TYR) activity (P < 0.05, P < 0.01) by using NaOH lysis and L-Dopa oxidation assay. Results of western blot showed that, compared with the model group, PNMR-ER could dose dependently inhibit the protein expression of microphthalmia-associated transcription factor (MITF), TYR, tyrosinase-related protein-1 (TRP-1) and tyrosinase-related protein-2 (TRP-2) in B16F10 cells (P < 0.05, P < 0.01), as well as the phosphorylation of CREB, extracellular signal-regulated kinase (ERK), c-Jun N-terminal kinase (JNK) and p38 mitogen-activated protein kinases (p38 MAPK) in B16F10 cells (P < 0.05, P < 0.01). Our findings provided research data support for the secondary development of PNMR-ER as a natural whitening substance for application in whitening cosmetics.

Key words:

中图分类号:  R285

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