Exploring the mechanism of action of three agents white powder in the care for pulmonary diseases based on network pharmacology and technology for molecular docking

ABSTRACT

Based on the international concern about COVID-19 and pulmonary diseases, the number of cases of lung injury caused by COVID-19 pneumonia and its complications has increased dramatically in recent years, and the complexity of the situation makes the combination of single drugs a major problem in respiratory diseases. Therefore, it would be feasible to replace single drug combinations with compounded formulations for the treatment of a diverse array of pulmonary diseases. At the same time, the visualization of the chemical composition of herbal formulations and the study of molecular interactions to reveal the mechanism of action will be of practical significance. This paper introduced the therapeutic mechanisms of the traditional Chinese medicine formula Three Agents White Powder. Three major pulmonary diseases, COVID-19, pulmonary fibrosis, and lung abscess, were investigated using molecular docking and network pharmacology approaches. Mainly using TCMSP, DAVID, STRING, Genecard database screening, and autodock molecular docking methods, this paper verified that this drug applies its healing benefits to pulmonary diseases through multiple components, multiple targets, and multiple pathways, and illustrated the effectiveness of this formula in the adjuvant treatment of extensive pulmonary diseases. © 2023 SPIE.