Exploring the nucleotide molecular mechanism of compound kushen injection for lung adenocarcinoma based on network pharmacology and molecular docking.

Abstract

Compound kushen injection is an effective traditional Chinese medicine for the treatment of lung cancer. However, its influence on the survival and prognosis of patients with lung adenocarcinoma patients was less studied; especially its pharmacological mechanism remains to be further elucidated. In the present study, we adopted a network pharmacology (NP)-based approach to screening effective compounds, screening and predicting target genes, analyzing biological functions and pathways, constructing a regulatory network and protein interaction network, and screening the key targets. Moreover, mass survival analysis and molecular docking were conducted. In the end, 35 key compounds and four possible central target genes were screened out, which could be used for the treatment of lung adenocarcinoma and affected the survival and prognosis of patients with lung adenocarcinoma. In addition, their key compounds had good docking affinity. Enrichment analysis showed that CKI might affect the treatment and prognosis of lung adenocarcinoma patients by regulating the PI3K-Akt signaling pathway, TNF signaling pathway, non-small cell lung cancer, Hepatitis C, etc. We discussed the pharmacological mechanisms and potential therapeutic targets of CKI in the treatment of lung adenocarcinoma, which verified the effect of CKI on the prognosis and survival of patients. The present study might promote the further clinical application of CKI and provide a theoretical basis for further experimental studies.