Mechanisms of Gynostemma pentaphyllum against non-alcoholic fibre liver disease based on network pharmacology and molecular docking

J Cell Mol Med. 2022 Jul;26(13):3760-3771. doi: 10.1111/jcmm.17410. Epub 2022 Jun 3.

Abstract

As a progressive chronic disease, the effective treatment for non-alcoholic fibre liver disease (NAFLD) has not yet been thoroughly explored at the moment. The widespread use of Gynostemma pentaphyllum (Thunb) for its anti-insulin resistance effect indicates that potential therapeutic value may be found in Thunb for NAFLD. Hence, this research aims to discover the latent mechanism of Thunb for NAFLD treatment. To achieve the goal of discovering the latent mechanism of Thunb for NAFLD treatment, molecular docking strategy integrated a network phamacology was adopted in the exploration. We acquire Thunb compounds with activeness from TCMSP database. We collect the putative targets of Thunb and NAFLD to generate the network. Key targets and mechanism are screened by PPI analysis, GO and KEGG pathway enrichment analyses. Molecular docking simulation is introduced into the study as assessment method. Through network analysis and virtual screening based on molecular docking, 2 targets (AKT 1 and GSK3B) are identified as key therapeutic targets with satisfying binding affinity. Main mechanism is believed to be the biological process and pathway related to insulin resistance according to the enrichment analyses outcomes. Particularly, the P13K-AKT signalling pathway is recognized as a key pathway of the mechanism. In conclusion, the study shows that Thunb could be a potential treatment against NAFLD and may suppress insulin resistance through the P13K-AKT signalling pathway. The result of the exploration provides a novel perspective for approaching experimental exploration.

Keywords: Gynostemma pentaphyllum; molecular docking; network pharmacology; non-alcoholic fibre liver disease.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Drugs, Chinese Herbal* / chemistry
  • Drugs, Chinese Herbal* / pharmacology
  • Drugs, Chinese Herbal* / therapeutic use
  • Gynostemma / chemistry
  • Liver Diseases, Alcoholic* / drug therapy
  • Molecular Docking Simulation
  • Network Pharmacology
  • Non-alcoholic Fatty Liver Disease* / drug therapy
  • Proto-Oncogene Proteins c-akt / metabolism

Substances

  • Drugs, Chinese Herbal
  • Proto-Oncogene Proteins c-akt