To Explore the Mechanism of Shenling Baizhu San in the Treatment of Chronic Obstructive Pulmonary Disease Based on Network Pharmacology and Molecular Docking Technology

Objectives: To explore the possible mechanism of Shenling Baizhu San (SLBZS) in the treatment of chronic obstructive pulmonary disease (COPD) by network pharmacology and molecular docking technology. Methods: TCMSP and TCMID databases were used to screen the active ingredients and corresponding targets of SLBZS, and GeneCards and TTD databases were used to obtain COPD targets. The intersection targets of SLBZS in the treatment of COPD were obtained by Venn method, and the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis was performed. SYBYL×2.2.1 and Pymol software were used to perform molecular docking experiments for the active ingredients and core targets of SLBZS in the treatment of COPD. Results: A total of 255 active ingredients of SLBZS and 146 core targets for the treatment of COPD were obtained. A total of 430 KEGG pathway entries were obtained, including PI3K-Akt signaling pathway, MAPK signaling pathway, NF-κB signaling pathway, cAMP signaling pathway, and inflammatory mediator regulation of trp channel. Molecular docking results showed that the active ingredients quercetin and liensinine had good binding with the core targets TP53, AKT1 and MAPK1. Conclusions: Based on the characteristics of multi-component, multi-target and multi-pathway, SLBZS may treat COPD by reducing inflammatory response, reducing oxidative stress, interfering with immunity, and regulating the imbalance of apoptosis/anti-apoptosis.