Mechanism of Liangxue Jiedu oral liquid in the treatment of psoriasis vulgaris based on network pharmacology and molecular docking

This study aims to investigate the therapeutic mechanism of Liangxue Jiedu oral liquid in treating psoriasis vulgaris using the network pharmacology and molecular docking. Active compounds and their corresponding targets of Liangxue Jiedu oral liquid were obtained using the TCMSP database, and protein and gene names were standardized using the Uniprot database. A medicinal material-active compound-target interaction network was structured utilizing Cytoscape software. The targets associated with psoriasis vulgaris were collected from the GeneCards database, and a protein-protein interaction network of common targets of the disease and active compounds was established using the STRING database with core targets screened via Cytoscape software package. Gene Ontology and Kyoto Encyclopedia of Gene and Genome pathway enrichment analyses were conducted using the DAVID database. Furthermore, molecular docking was performed using PyMoL and AutoDock Vina to predict the binding affinities between core targets and active compounds. A total of 174 active ingredients and 27 key targets in Liangxue Jiedu oral liquid were identified, with core targets including tumor necrosis factor, albumin, interleukin 6, tumor protein 53, and interleukin 1 beta. These targets were closely associated with diseases such as atherosclerosis, cancer, diabetes, hepatitis B, and cellular immunity, as indicated by Kyoto Encyclopedia of Gene and Genome pathway enrichment analysis. Molecular docking results demonstrated strong binding affinities between the main active ingredients and the target proteins. This study integrates network pharmacology and molecular docking techniques to reveal the potential mechanisms of the oral liquid Liangxue Jiedu in treating plaque psoriasis, laying a foundation for further pharmacological research.