Wang Qi, Li Mei-Jing, Guo Xiao-Meng, Zhang Ze-Kuan, Zhang Nan, Wang Zhi-Min, Gong Mu-Xin
School of Traditional Chinese Medicine, Capital Medical University Beijing 100069, China Beijing Key Laboratory of Traditional Chinese Medicine Collateral Disease Theory Research Beijing 100069, China.
Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences Beijing 100700, China.
Zhongguo Zhong Yao Za Zhi. 2024 Nov;49(21):5865-5876. doi: 10.19540/j.cnki.cjcmm.20240719.301.
This study rapidly identified and quantified the chemical components of the Wuzhuyu Decoction nanophase(WZYD-N) and suspension phase(WZYD-S) using ultra-high performance liquid chromatography coupled with triple quadrupole mass spectrometry(UPLC-QQQ-MS/MS). Based on preliminary pharmacodynamic experiments and network pharmacology analysis, the differential anti-inflammatory and analgesic activities of WZYD-N and WZYD-S were explored to understand their pharmacodynamic basis. WZYD-N and WZYD-S were separated by differential centrifugation-dialysis, and their particle size, Zeta potential, PDI, and morphology were characterized by dynamic light scattering and transmission electron microscopy. A method was established to quantify 23 representative components of WZYD using UPLC-QQQ-MS/MS, clarifying the differences in component content between the two phases. The anti-inflammatory and analgesic activities of WZYD-N and WZYD-S were preliminarily investigated using the acetic acid-induced enhanced capillary permeability inflammation model and the acetic acid writhing pain model. Network pharmacology was applied to screen the key anti-inflammatory and analgesic targets and active components of WZYD, and the relationship between the components and pharmacodynamics of WZYD-N and WZYD-S was analyzed based on quantitative results. The results showed that WZYD-N primarily consisted of spherical self-assembled aggregates around 200 nm, with a PDI of approximately 0.299 and a zeta potential of-22.1 mV. With an equivalent amount of crude drugs, obacunone and dihydroevocarpine were quantified in equal amounts in WZYD-N and WZYD-S. The content of rutaecarpine, evocarpine, rutaevine, limonin, and ginsenoside Ro was higher in WZYD-S, while 15 other components, including evodiamine, dehydroevodiamine, ginsenoside Re, 6-gingerol, and ginsenoside Rg_1, were higher in WZYD-N. Moreover, 6-dehydrogingerdione was low in both WZYD-N and WZYD-S. Preliminary pharmacodynamic experiments showed that WZYD-N could reduce the number of writhing responses and inhibit pain responses induced by acetic acid in mice, exhibiting analgesic effects similar to the WZYD group. WZYD-S could reduce the absorbance value of the intraperitoneal lavage fluid in mice, exhibiting anti-inflammatory effects comparable to the WZYD group. Network pharmacology analysis indicated that dehydroevodiamine, rutaecarpine, 6-gingerol, and ginsenoside Rg_1 might be the analgesic active components of WZYD, and limonin, rutaevine, and ginsenoside Ro might be the anti-inflammatory active components of WZYD. This study proposed a novel strategy for elucidating the pharmacodynamic basis of WZYD and innovating classical formulas.
本研究采用超高效液相色谱-三重四极杆质谱联用技术(UPLC-QQQ-MS/MS)快速鉴定并定量吴茱萸汤纳米相(WZYD-N)和混悬相(WZYD-S)的化学成分。基于初步药效学实验和网络药理学分析,探究WZYD-N和WZYD-S的抗炎和镇痛差异活性,以了解其药效学基础。通过差速离心-透析法分离WZYD-N和WZYD-S,并采用动态光散射和透射电子显微镜对其粒径、Zeta电位、PDI和形态进行表征。建立了用UPLC-QQQ-MS/MS定量WZYD中23种代表性成分的方法,明确了两相成分含量的差异。采用醋酸诱导的毛细血管通透性增强炎症模型和醋酸扭体疼痛模型初步研究了WZYD-N和WZYD-S的抗炎和镇痛活性。应用网络药理学筛选WZYD的关键抗炎和镇痛靶点及活性成分,并基于定量结果分析WZYD-N和WZYD-S的成分与药效学之间的关系。结果表明,WZYD-N主要由直径约200 nm的球形自组装聚集体组成,PDI约为0.299,Zeta电位为-22.1 mV。在等量的生药情况下,吴茱萸次碱和二氢吴茱萸碱在WZYD-N和WZYD-S中的含量相等。吴茱萸碱、吴茱萸次碱、吴茱萸新碱、柠檬苦素和人参皂苷Ro在WZYD-S中的含量较高,而吴茱萸胺、去氢吴茱萸胺、人参皂苷Re、6-姜酚和人参皂苷Rg_1等其他15种成分在WZYD-N中的含量较高。此外,6-脱氢姜二酮在WZYD-N和WZYD-S中的含量均较低。初步药效学实验表明,WZYD-N可减少小鼠扭体反应次数,抑制醋酸诱导的疼痛反应,镇痛效果与WZYD组相似。WZYD-S可降低小鼠腹腔灌洗液的吸光度值,抗炎效果与WZYD组相当。网络药理学分析表明,去氢吴茱萸胺、吴茱萸碱、6-姜酚和人参皂苷Rg_1可能是WZYD的镇痛活性成分;柠檬苦素、吴茱萸新碱和人参皂苷Ro可能是WZYD的抗炎活性成分。本研究为阐明吴茱萸汤的药效学基础和创新经典方剂提出了一种新策略。