Network Pharmacology-based on the Active Components and Molecular Mechanisms of Andrographis paniculata (Burm. f.) Wall. ex Nees in Treating Inflammation

Abstract:

Background: Andrographis paniculata (Burm. f.) Wall. ex Nees (AP) is a medicinal plant traditionally used as anti-inflammation and anti-bacteria. The role of AP in inflammation has been evaluated in several studies. But, the exact mechanism is unclear. In the present study, network pharmacology was used to explore the anti-inflammation constituents of AP and its anti-inflammation mechanism. Materials and Methods: The chemical components of AP. were screened by TCMSP database, in combination with literature. The effective compounds were filtrated by drug likeness and pharmacokinetic characteristics (ADMET). The target genes of effective compounds were predicted by Swisspredict database. The anti-inflammation genes were found in databases, and antiinflammation related target genes were screened by comparison. The functions of target genes and related pathways were analyzed and screened by database, the Component- Target-Pathways network of anti-inflammation effect of AP was established by using Cytoscape software. AutoDock was used to verify the molecular docking between the molecule and the target. Results: The research showed that the anti-inflammatory effective ingredients in AP were moslosooflavone, rographidine F_qt, rographin, 14-deoxy- 11-oxo-andrographolide, mono-O-methylwightin. The mechanisms were involved in PI3k- Akt signaling pathway, Neuroactive ligand-receptor interaction, Measles and so on. The top 3 targets were PIK3CG, PIK3CA and PIK3CD and they were all enriched in PI3k- Akt signaling pathway. Molecular docking showed that the five components had high binding activity with the screened target proteins, which provided further verification for subsequent network analysis. Conclusion: The anti-inflammatory activity mechanism of AP was characterized by multiple components, multiple targets and multiple pathways. The results of network pharmacology can provide certain scientific basis for subsequent experimental research.

Key words: Andrographis paniculata (Burm.f.) Wall. ex Nees, Network pharmacology, Inflammation, Docking.