Animal models and experimental medicine
Molecular mechanism of Xanthotoxol against gastric cancer: A comprehensive study integrating network pharmacology, computer simulations, and experimental validation
By Yang Y, Du YH, Song C and 8 others.
Abstract
Background
Gastric cancer (GC) is a prevalent malignant tumor of the digestive system worldwide. Xanthotoxol (Xan), a natural compound extracted from traditional Chinese medicine such as Angelica archangelica, has demonstrated antitumor properties. However, its specific effects on GC remain unreported.
Methods
Hub targets of Xan in GC were identified by integrating weighted gene co-expression network analysis (WGCNA) with network pharmacology. Molecular docking and molecular dynamics (MD) simulations were conducted to analyze the interaction between the hub targets and Xan. The effects of Xan on GC cell proliferation, cell cycle, apoptosis, migration, and invasion were examined using cell experiments and xenograft tumor model. Histopathological evaluation of changes in tumor and liver tissues was performed after Xan intervention. Western blot and reverse transcription quantitative polymerase chain reaction (RT-qPCR) were employed to analyze hub target expression and clarify Xan's molecular mechanism against GC.