Investigation of the Active Ingredients and Mechanism of Action of YGZ223 in the Treatment of Senile Pruritus Using Network Pharmacology and UPLC-MS

被引:0
作者
Shu, Xiankui [1 ,2 ,3 ]
Ye, Ling [1 ,2 ,3 ]
Han, Shiqi [1 ]
Liang, Lu [4 ]
Song, Hancheng [4 ]
Xue, Shuang [4 ]
Zhao, Yilang [4 ]
Ling, Sa [4 ]
Liu, Bo [1 ,2 ,3 ,5 ]
机构
[1] Hubei Univ Chinese Med, Fac Pharm, Wuhan 430065, Peoples R China
[2] Key Lab Tradit Chinese Med Resources & Chem Hubei, Wuhan 430065, Peoples R China
[3] Modern Engn Res Ctr Tradit Chinese Med & Ethn Med, Wuhan 430065, Peoples R China
[4] Hubei Inst CO LTD Pharmaceut Ind, Wuhan 430061, Peoples R China
[5] Hubei Shizhen Lab, Wuhan, Peoples R China
关键词
network pharmacology; molecular docking; senile pruritus; molecular dynamics simulation; UPLC-MS; SKIN DISEASES; ITCH; IDENTIFICATION; PREVALENCE; ALKALOIDS; MODELS; EGFR;
D O I
10.1177/1934578X241261015
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
Background/Objective: Senile pruritus (SP) is a prevalent disease that occurs in elderly individuals over the age of 60 and is characterized by the primary symptom of pruritus. The disease's pathogenesis is complex, and clinical practice mainly uses symptomatic treatment drugs. YGZ223 is a traditional Chinese medicine currently in clinical trials for treatment of SP. However, its chemical composition and pharmacological mechanism remain unclear. The purpose of this inquiry is to investigate the workings of YGZ223 in managing SP using network pharmacology, UPLC-MS, and molecular docking. Materials and Method: This investigation employs network pharmacology to anticipate the mode of operation of YGZ223 in alleviating SP, and UPLC-MS is applied to identify the chemical constituents. Molecular docking provides the binding strengths between principal constituents and targets, while animal experiments are performed to validate the antipruritic activity of YGZ223. Results: The compound prescription for SP contains formononetin and erysodienone as effective ingredients. These ingredients have the potential to impact pathways related to cancer, endocrine resistance, and the PI3K/AKT signaling pathway by regulating targets such as AKT1, EGFR, and mTOR. Formononetin and erysodienone have a considerable binding capacity with various targets, the former displaying the strongest binding with AKT1. Animal test results show that the YGZ223 group can significantly reduce the number of tickles in mice compared to the 4-Aminopyridine induced model group, and has a good anti-itch effect. Conclusion: This study demonstrates that YGZ223 has potential anti-SP activity due to multiple constituents, targets, and pathways, and thus lays the groundwork for development of novel therapeutic approaches for SP.
引用
收藏
页数:22
相关论文
共 55 条
  • [1] Pharmacodynamic studies of the epidermal growth factor receptor inhibitor ZD1839 in skin from cancer patients: Histopathologic and molecular consequences of receptor inhibition
    Albanell, J
    Rojo, F
    Averbuch, S
    Feyereislova, A
    Mascaro, JM
    Herbst, R
    LoRusso, P
    Rischin, D
    Sauleda, S
    Gee, J
    Nicholson, RI
    Baselga, J
    [J]. JOURNAL OF CLINICAL ONCOLOGY, 2002, 20 (01) : 110 - 124
  • [2] jvenn: an interactive Venn diagram viewer
    Bardou, Philippe
    Mariette, Jerome
    Escudie, Frederic
    Djemiel, Christophe
    Klopp, Christophe
    [J]. BMC BIOINFORMATICS, 2014, 15
  • [3] The Protein Data Bank
    Berman, HM
    Westbrook, J
    Feng, Z
    Gilliland, G
    Bhat, TN
    Weissig, H
    Shindyalov, IN
    Bourne, PE
    [J]. NUCLEIC ACIDS RESEARCH, 2000, 28 (01) : 235 - 242
  • [4] Structural characterization of the GSK-3β active site using selective and non-selective ATP-mimetic inhibitors
    Bertrand, JA
    Thieffine, S
    Vulpetti, A
    Cristiani, C
    Valsasina, B
    Knapp, S
    Kalisz, HM
    Flocco, M
    [J]. JOURNAL OF MOLECULAR BIOLOGY, 2003, 333 (02) : 393 - 407
  • [5] Identification and determination of the major constituents in Traditional Chinese Medicinal formula Danggui-Shaoyao-San by HPLC-DAD-ESI-MS/MS
    Chen, Linlin
    Qi, Jin
    Chang, Yan-xu
    Zhu, Danni
    Yu, Boyang
    [J]. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 2009, 50 (02) : 127 - 137
  • [6] Central circuit mechanisms of itch
    Chen, Xiao-Jun
    Sun, Yan-Gang
    [J]. NATURE COMMUNICATIONS, 2020, 11 (01)
  • [7] Swiss Target Prediction: updated data and new features for efficient prediction of protein targets of small molecules
    Daina, Antoine
    Michielin, Olivier
    Zoete, Vincent
    [J]. NUCLEIC ACIDS RESEARCH, 2019, 47 (W1) : W357 - W364
  • [8] SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
    Daina, Antoine
    Michielin, Olivier
    Zoete, Vincent
    [J]. SCIENTIFIC REPORTS, 2017, 7
  • [9] Formononetin: Biological effects and uses - A review
    Dutra, Juliana Machado
    Espitia, J. P. Paula
    Batista, Rejane Andrade
    [J]. FOOD CHEMISTRY, 2021, 359
  • [10] HERB: a high-throughput experiment- and reference-guided database of traditional Chinese medicine
    Fang, ShuangSang
    Dong, Lei
    Liu, Liu
    Guo, JinCheng
    Zhao, LianHe
    Zhang, JiaYuan
    Bu, DeChao
    Liu, XinKui
    Huo, PeiPei
    Cao, WanChen
    Dong, QiongYe
    Wu, JiaRui
    Zeng, Xiaoxi
    Wu, Yang
    Zhao, Yi
    [J]. NUCLEIC ACIDS RESEARCH, 2021, 49 (D1) : D1197 - D1206