Using Network Pharmacology and Molecular Docking to Explore the Mechanism by Which Dracocephalum rupestre Hance Tea Intervenes in Hyperlipidemia

Abstract

The purpose of this study was to comprehensively explain the key components and mechanism of action of tea made from the leaves of Dracocephalum rupestre Hance (DRH) for intervening in hyperlipidemia by using network pharmacology and molecular docking. Eight active components of DRH tea and 160 targets for intervention in hyperlipidemia were selected by using the Traditional Chinese Medicine System Pharmacology Database and Analysis Platform (TCMSP), and a ‘DRH tea-active ingredients-intersection targets-hyperlipidemia’ network was constructed. Gene ontology (GO) pathway analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis showed that the tumor necrosis factor (TNF) signaling pathway, insulin resistance and the peroxisome proliferators-activated receptor (PPAR) signaling pathway were mainly involved in the intervention of DRH tea in hyperlipidemia. Molecular docking and visual analysis showed that the core components of DRH tea could be stably combined with the key targets. Therefore, it is speculated that DRH tea intervenes in hyperlipidemia through the synergistic effect of multi-components, multi-targets, and multi-pathways, which can provide a theoretical basis for the development and utilization of plant resources for herbal tea.

Keywords

• dracocephalum rupestre hance tea; hyperlipidemia; network pharmacology; molecular docking