Molecular mechanisms of Biyu decoction as treatment for psoriasis: A network pharmacology and molecular docking study

Abstract

BACKGROUND The therapeutic effects of a combination of Chinese medicines called Biyu decoction have been clinically verified, although its molecular targets in psoriasis remain unknown. AIM To explore the molecular mechanisms of Biyu decoction for psoriasis treatment. METHODS 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. RESULTS 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. CONCLUSION Biyu decoction may be effective against psoriasis through multi-component, multi-target, and multi-channel synergy.

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“…The GO and KEGG enrichment were performed on the Database for Metascape ( https://metascape.org ) ( Zhou et al, 2019 ). GO functionally annotates key genes into 3 main terms, i.e., cellular components (CCs), molecular functions (MFs), and biological processes (BPs) ( Wang et al, 2022b ). The KEGG enrichment analysis reveals potential biological processes with critical targets.…”

“…Psoriasis (PSO) is an immune-mediated chronic and recurring inflammatory skin or joint condition. The global prevalence of PSO is around 2% ( Wang et al, 2022b ). Although gender does not affect the occurrence of PSO, genetic predisposition and age are known to enhance its occurrence.…”

Identification of Therapeutic Potential of Triazole Antifungal Drugs in Psoriasis using Network Pharmacological Approach

“…The GO and KEGG enrichment were carried out on the Metascape Database (https://metascape.org/). GO categorises important genes into three categories: cellular components (CCs), molecular functions (MFs), and biological processes (BPs) 28 . The KEGG enrichment analysis identifies prospective biological processes that have important targets.…”