Title:Elucidation of the Mechanisms and Molecular Targets of Run-zao-zhiyang
Capsule for Itch based on Network Pharmacology, Molecular Docking
and In Vitro Experiment
Volume: 26
Issue: 10
Author(s): Jiawei Wang, Huixin Li, Zixuan Yang, Chunyue Huang, Yichun Sun*Xiao Hu*
Affiliation:
- China National Pharmaceutical Group (Gui
Zhou) Tongjitang Pharmaceutical Co., Ltd, Guiyang 550026, China
- State Key Laboratory of New Drug and Pharmaceutical Process, Shanghai Institute of Pharmaceutical Industry, China
State Institute of Pharmaceutical Industry, Shanghai 201203, China
Keywords:
Run-zao-zhi-yang capsule, itch, network pharmacology, molecular docking, anti-inflammation, MVD.
Abstract:
Background: Traditional Chinese medicine formula (TCMF) Run-zao-zhi-yang capsule
(RZZY) is commonly used in treating itch in China. However, there are few studies on its mechanisms.
In this study, we revealed the mechanisms and molecular targets of RZZY for itch by network
pharmacology, molecular docking, and in vitro experiments.
Methods: The network pharmacology consisted of active ingredient collection, target acquisition,
enrichment analysis, biological process analysis, and network construction. Molecular docking was
carried out using molegro virtual docker (MVD) software. LPS-induced RAW 264.7 cells were
used to evaluate the in vitro anti-inflammatory activity.
Results: We collected 483 high-confidence targets that interacted with 16 active compounds of
RZZY, including 121 common genes related to itch. 43 important targets and 20 important pathways
were identified according to the network and system analysis. Target-pathway network function
analysis suggested that RZZY is treated for itch by multiple ways in immune regulation, hormone
adjustment, anti-inflammation, and anti-oxidation. Molecular docking results demonstrated
that daidzein and formononetin could be closely combined with 4 proteins. In vitro experiments
displayed that RZZY, sophocarpine, catalpol, emodin, and daidzein had suppressive effects against
TNF-α, IL-1β, or IL-6 production in LPS-induced RAW 264.7 cells. Interestingly, the result of
network pharmacology revealed that RZZY might be more suitable for senile pruritus, consistent
with the bibliometric analysis of RZZY’s clinical indications.
Conclusion: This study illustrated the potential mechanisms and molecular targets of RZZY for
itch, which may contribute to the proper use of RZZY in clinical practice.
