Compound-target-pathway network analysis and effective mechanisms prediction of Bu-Shen-Jian-Pi formula

Abstract

Objective: The aim of this study was to predict the active compounds, therapy targets, and diseases of Bu-Shen-Jian-Pi formula (BSJPF) through the system pharmacology-based approach. Methods: Traditional Chinese Medicine Systems Pharmacology (TCMSP) and TCM Database@Taiwan Databases were used to obtain Chinese herbal medicine compounds. Oral bioavailability (OB) and drug-likeness (DL) based on the TCMSP database were used to screen the active compounds of BSJPF and related diseases. Therapy targets were defined according to the DrugBank database. The compounds-targets-disease network was constructed by Cytoscape and function and signaling pathways were also analyzed. Results: A total of 143 of 2106 compounds in BSJPF were screened out (OB ≥30%, DL index ≥0.18). Two hundred and sixty-five targets were found and 334 diseases were enriched. The diseases such as cancer, Alzheimer's disease, inflammation, and asthma were most closely correlated with the formula. BSJPF, Liu-Wei-Di-Huang decoction (LWDHD), and Si-Jun-Zi decoction (SJZD) could regulate cell proliferation and apoptosis; LWDHD also regulated biological processes and cellular processes and regulated stress on chemical stimuli and SJZD focused on the regulation of anabolic reaction. All had enriched the signaling pathways in cancer, nonsmall cell lung cancer, and thyroid cancer pathways. There were more pathways in both BSJPF and LWDHD, mainly including cancer, colorectal cancer pathways, toll-like receptors, T-cell receptors and P53 signaling pathways, and apoptosis. LWDHD was also involved in Wnt, natural killer cell cytotoxicity, and lymphocyte migration signaling pathways. SJZD had no separate pathways. In the tumor-related pathways, targets were more concentrated in the PI3K/Akt pathway and the MAPK/ERK signaling pathway. Conclusions: BSJPF owns multiple targets and pathways to treat various diseases under the guidance of “treating different diseases with the same method.”