Abstract
Using network pharmacology and molecular docking, this study investigated the molecular mechanisms by which the active components in Salvia miltiorrhiza can alleviate acute pancreatitis. Initially, the active components of Salvia miltiorrhiza and the targets collected from the GeneCards database were screened based on the platform of systematic pharmacology analysis of traditional Chinese medicine. Subsequently, the active components were intersected with the disease targets. Also, interactions among the targets were computed using the STRING database. Biological function and pathway enrichment were analyzed using the Cluster Profiler package in the R software. Protein-protein interaction and component target pathway network were constructed using the Cytoscape software. Ultimately, the key targets and their corresponding components in the network were verified using the AutoDock Vina software. The results showed Salvia miltiorrhiza had 111 targets for acute pancreatitis. The biological process (BP) analysis showed that the active components of Salvia miltiorrhiza induced a drug response, positive regulation of transcription by RNA polymerase II promoter, signal transduction, positive regulation of cell proliferation, and negative regulation of apoptosis. Furthermore, the KEGG enrichment analysis screened 118 (P < 0.05) signaling pathways, such as the pathways related to cancer, neuroactive ligand-receptor interaction, PI3K-Akt signaling pathway, and cAMP signaling pathway, to name a few. Finally, molecular docking showed that the active components of Salvia miltiorrhiza had a good binding affinity with their corresponding target proteins. Through network pharmacology, this study predicted the potential pharmacodynamic material basis and the mechanisms by which Salvia miltiorrhiza can treat acute pancreatitis. Moreover, this study provided a scientific basis for mining the pharmacodynamic components of Salvia miltiorrhiza and expanding the scope of its clinical use.
Highlights
Acute pancreatitis (AP) is a common clinical inflammatory disease caused by the abnormal activation of trypsinogen
A total of 202 active chemical components of Salvia miltiorrhiza were retrieved in this study
The results suggested that a single component of Salvia miltiorrhiza affected multiple targets
Summary
Acute pancreatitis (AP) is a common clinical inflammatory disease caused by the abnormal activation of trypsinogen. 15-25% of the patients with this abnormality might develop severe acute pancreatitis. An inexpensive and available traditional medicine, may be used as a routine drug in the comprehensive treatment of AP. It promotes blood circulation, removes blood stasis, dredges channels, relieves pain, dilates microvessels, and improves microcirculation. Clinical studies reported the significant role of [1] Salvia miltiorrhiza in the treatment of AP. Further studies are required to identify the specific disease targets of the components of Salvia miltiorrhiza
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