Background. Jiawei Ling Gui Zhu Gan Decoction (JW-LZD) is based on Linggui
Zhugan Decoction (LZD) and adds eight traditional Chinese medicines: Codonopsis
pilosula, Astragalus membranaceus, Yam, Epimedium, Morinda officinalis, Tangerine
Peel, Pinellia ternata and Coix Seed, which can be used for the treatment of obesity
in the clinical. In this study, we determined the molecular targets and mechanisms
involved in obesity treatment through network pharmacological analysis, and
molecular docking technology.
Material and Methods. Related compounds were
obtained from the TCMSP.Oral bioavailability and drug-likeness were screened using
pharmacokinetic criteria. Molecular targets were identified in the drug-bank database
and compared with obesity disease differential genes with P < 0.05 and ∣ log2FC >
0.5 obtained in the GEO-database to obtain cross genes and construct the TCM
compound disease regulation network. After constructing PPI, Go, and KEGG
analyses, the key active components and target genes were selected. Molecular
docking was carried out using AutoDock, and the best binding target was selected to
select the best binding target for molecular docking.
Results. A total of 248 potential
compounds and 30 strongly associated JW-LZD targets were identified. Pathway
enrichment analysis showed that putative JW-LZD targets mostly participated in
adenylate cyclase-activating adrenergic receptor signaling, adrenergic receptor
signaling, regulation of signal receptor activity, coagulation, and other metabolic
related biological processes. The molecular docking results showed that the key JWLZD
components have good potential to combine with the target genes ADRB2,
ADRA2A, ADRA2C, CHEK1, CHEK2, and DGAT2.
Conclusion. Our findings
suggest that JW-LZD prevent obesity through the molecular mechanisms predicted by
network pharmacology, providing a way to develop new combination medicines for
obesity.