Chemical Characteristics of Platycodon grandiflorum and its Mechanism in Lung Cancer Treatment

Abstract

Objective: The technology, network pharmacology and molecular docking technology of the ultra performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF-MS/MS) were used to explore the potential molecular mechanism of Platycodon grandiflorum (PG) in the treatment of lung cancer (LC).Methods: UPLC-Q-TOF-MS/MS technology was used to analyze the ingredients of PG and the potential LC targets were obtained from the Traditional Chinese Medicine Systems Pharmacology database, and the Analysis Platform (TCMSP), GeneCards and other databases. The interaction network of the drug-disease targets was constructed with the additional use of STRING 11.0. The pathway enrichment analysis was carried out using Gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) in Metascape, and then the “Drug-Ingredients-Targets-Pathways-Disease” (D-I-T-P-D) network was constructed using Cytoscape v3.7.1. Finally, the Discovery Studio 2016 (DS) software was used to evaluate the molecular docking.Results: Forty-seven compounds in PG, including triterpenoid saponins, steroidal saponins and flavonoids, were identified and nine main bioactive components including platycodin D were screened. According to the method of data mining, 545 potential drug targets and 2,664 disease-related targets were collected. The results of topological analysis revealed 20 core targets including caspase 3 (CASP3) and prostaglandin-endoperoxide synthase 2 (PTGS2) suggesting that the potential signaling pathway potentially involved in the treatment of LC included MAPK signaling pathway and P13K-AKT signaling pathway. The results of molecular docking proved that the bound of the ingredients with potential key targets was excellent.Conclusion: The results in this study provided a novel insight in the exploration of the mechanism of action of PG against LC.

Integrated metabolomic and transcriptomic analysis reveals variation in the metabolites and genes of Platycodon grandiflorus roots from different regions

“…Twenty-one genes associated with flavonoids biosynthesis were up-regulated, and 44 phenylpropanoid biosynthesis-related genes were up-regulated. The active ingredients of PG were mainly concentrated in terpenoids, flavonoids, and phenolic acids, 18,52 and saponins were mainly pentacyclic triterpenoids, such as platycodon D and polygalacinn D. Flavonoids were mainly apigenin and lutein, and phenolic acids were ferulic acid, isoferulic acid, chlorogenic acid, and caffeic acid. 12 The up-regulated expression of terpenoids, flavonoids, and phenolic acid-related genes in PGn could promote the production of more saponins, flavonoids, and phenolic acids.…”

“…3,11 Triterpenoid saponins have been discovered in PG with multiple pharmacological activities and clinical therapeutic effects. 12,13 Modern pharmacological research has shown that PG has anti-inflammatory, 14 antioxidant, 15 liver protection, 16,17 anti-tumour, 18 and anti-obesity effects. 19 Annual PG is mainly used as a food; PG is used as a medicine when the roots reach 2 or 3 years in age or more.…”

Based on UPLC-Q-TOF-MS/MS, Systematic Network Pharmacology, and Molecular Docking to Explore the Potential Mechanism of Fructus Aurantii for Major Depression Disorder

“…erefore, this experiment used FA as raw material, and the chemical composition was determined by UPLC-QTOF-MS/MS. In addition, the active ingredient, disease target, and the action pathway were investigated to obtain the underlined mechanism used by FA on MDD, which was further verified by molecular docking [15][16][17].…”

The Pharmacological Mechanism of Xiyanping Injection for the Treatment of Novel Coronavirus Pneumonia (COVID-19): Based on Network Pharmacology Strategy

“…Recently, network pharmacology has been widely used in the study of Chinese medicine anti-SARS-CoV-2 [ 8 ]. The emerging network pharmacology technology can be widely used to explore the possible mechanism of Chinese medicine to treat diseases through multicomponent, multitarget, and multichannel levels and to explore potential therapeutic drugs [ 9 ]. The Chinese medicine injections in the New Coronary Virus Pneumonia Treatment Programme (Trial 7) [ 10 ] are included in the recommended SARS-CoV-2 treatment options, such as Xiyanping injection, Xuebijing injection, Reduning, Tanreqing injection, Xingnaoling injection, Shenfu injection, Shenmai injection, and Shengmai injection.…”