Construction of the gene network in the spinal cord injury treated by coptidis rhizoma based on network pharmacological and molecular docking

Abstract

Objective To explore the potential molecular network mechanism of coptidis rhizoma in the treatment of spinal cord injury (SCI) based on network pharmacology and molecular docking technology. Methods The compounds of coptidis rhizoma and therapeutic targets for SCI were predicted and screened from TCMSP. Genes related to SCI were searched in GeneCards. Protein‐protein interaction (PPI) network was constructed and the key targets were screened. The drug‐component‐target‐pathway network was constructed. AutoDock software was used for molecular docking verification. Results Fourteen compounds were screened from coptidis rhizoma, consisting of 148 potential targets, 133 of which were related to SCI. Interleukin‐6 (IL‐6), cysteine aspartate protease 3 (Casp3), proto‐oncogene protein c‐Jun (Jun), cyclooxygenase 2 (Ptgs2), and proto‐oncogene protein c‐Myc (Myc) were constructed as an interaction network. The biological processes involved in the treatment of SCI by coptidis rhizoma mainly include adenylate cyclase‐inhibiting G protein‐coupled acetylcholine receptor signaling pathway, etc. The results of molecular docking showed that the main active components in Coptis chinensis had a stable binding activity with the core target. Conclusion The treatment of SCI by coptidis rhizoma involves multiple targets, to promote neuronal survival, inhibit nerve cells apoptosis, in the process of SCI, which is useful to understand the mechanism of coptidis rhizoma for the treatment of SCI in future clinical applications.

Keywords

• Coptidis rhizoma
• Spinal cord injury
• Network pharmacology
• Bioinformatics
• Therapeutics