Research on the Mechanism of Qushi Huayu Decoction in the Intervention of Nonalcoholic Fatty Liver Disease Based on Network Pharmacology and Molecular Docking Technology.

BioMed Research International
Shan-Shan GaoXiao-Jun Gou

Abstract

To use network pharmacology and molecular docking technology in predicting the main active ingredients and targets of Qushi Huayu Decoction (QHD) treatment in Nonalcoholic Fatty Liver Disease (NAFLD) and explore the potential mechanisms of its multi-component-multi-target-multi-pathway. The main chemical components of QHD were searched using traditional Chinese medicine system pharmacology technology platform (TCMSP) and PubChem database. The main chemical components of the prescription were ADMET screened by the ACD/Labs software. The main active ingredient was screened by 60% oral bioavailability, and 60% of "bad" ingredients were removed from the drug-like group. Swiss Target Prediction, the SEA, and HitPick systems were sequentially used to search for the target of each active ingredient, and a network map of the QHD's target of the active ingredient was constructed. Genome annotation database platforms (GeneCards, OMIM, and DisGeNET) were used to predict action targets related to fatty liver disease. "Drug-Disease-Target" network diagram could be visualized with the help of Cytoscape (3.7.1) software. UniProt and STRING database platforms were used to build a protein interaction network. The KEGG signal pathway and DAVID p...Continue Reading

References

Apr 11, 2013·Evidence-based Complementary and Alternative Medicine : ECAM·Qin FengYi-Yang Hu
Jun 18, 2016·International Journal of Molecular Sciences·Jonathan L TempleJude A Oben
Oct 24, 2017·Molecular and Cellular Endocrinology·Xiaoyu LiaoHongting Zheng

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Citations

Apr 22, 2021·Evidence-based Complementary and Alternative Medicine : ECAM·Zhencheng XiongChi Zhang

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Methods Mentioned

BETA
chip

Software Mentioned

DisGeNET
Labs
MCODE
HitPick
Cytoscape
PyMOL
Swiss Target Prediction
DAVID
Venny2
AutoDock Vina

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