Published online Jul 26, 2022. doi: 10.12998/wjcc.v10.i21.7224
Peer-review started: January 17, 2022
First decision: March 16, 2022
Revised: March 24, 2022
Accepted: June 4, 2022
Article in press: June 4, 2022
Published online: July 26, 2022
Processing time: 174 Days and 19.3 Hours
The therapeutic effects of a combination of Chinese medicines called Biyu decoction have been clinically verified, although its molecular targets in psoriasis remain unknown.
To explore the molecular mechanisms of Biyu decoction for psoriasis treatment.
In this network pharmacology and molecular docking study, the Traditional Chinese Medicine Systems Pharmacology database was searched for Biyu decoction active ingredients. GeneCards, Online Mendelian Inheritance in Man, PharmGkb, Therapeutic Target Database, and DrugBank databases were searched for psoriasis-related genes. The genes targeted by the decoction’s active ingredient and disease genes were intersected to obtain predictive targets of the drug during psoriasis treatment. Cytoscape 3.8.0 was used to construct a drug component/ target disease network. The The functional protein association networks database and Cytoscape were used to construct a protein-protein interaction network and streamline the core network. The Gene Ontology and Kyoto Encyclopedia of Genes and Genomes were used for pathway enrichment analysis. Molecular docking technology was used to verify the drug component/target disease network.
We screened 117 major active ingredients, including quercetin, kaempferol, naringenin, and acetyl-shikonin, and identified 213 gene targets, such as MAPK3, JUN, FOS, MYC, MAPK8, STAT3, and NFKBIA. Using a molecular docking analysis, the main active ingredients demonstrated good binding to the core targets. The Gene Ontology analysis showed that these ingredients were significantly associated with biological activities, such as transcription factor DNA binding, RNA polymerase II-specific DNA binding of transcription factors, and cytokine receptor binding; responses to lipopolysaccharides, molecules of bacterial origin, and oxidative stress; and were mainly distributed in membrane rafts, microdomains, and regions. The Kyoto Encyclopedia of Genes and Genomes analysis showed that decoction ingredients act on Th17 cell differentiation, tumor necrosis factor and mitogen-activated protein signaling pathways, the interleukin-17 signaling pathway, and the PI3K-Akt signaling pathway.
Biyu decoction may be effective against psoriasis through multi-component, multi-target, and multi-channel synergy.
Core Tip: Biyu decoction has significant effects on psoriasis; however, its molecular targets in psoriasis remain unknown. We conducted a network pharmacology and molecular docking study to determine whether Biyu decoction ingredients target molecules and signaling pathways related to psoriasis pathogenesis. The main active ingredients identified include quercetin, kaempferol, beta-sitosterol, naringenin, and acetyl-shikonin. Target genes included MAPK3, JUN, FOS, MYC, MAPK8, STAT3, and NFKBIA, which can regulate the inflammatory state mediated by psoriasis immune cells and mediate the expression of factors that adjust local skin inflammation. Our results confirm that Biyu decoction can treat psoriasis through multi-component, multi-target, and multi-channel synergy.