Randomized trial investigates Liujunzi decoction's effects in COVID-19/lung cancer patients, suggesting therapeutic potential through multi-target interactions.
Key Points
The research aims to elucidate how Liujunzi decoction works in treating patients with both COVID-19 and lung cancer using network pharmacology and molecular docking.
Screened target information from databases including TCMSP, GeneCards, and Drugbank.
Constructed a PPI network and 'herb-ingredient-target' network using Cytoscape software.
Conducted molecular docking and dynamics simulations to analyze binding affinities.
Identified 125 active ingredients of Liujunzi decoction with 107 binding to 94 common targets.
Enrichment analysis revealed 1807 GO entries and 191 KEGG pathways related to shared disease mechanisms.
Molecular docking showed strong affinity between key components and TP53 activator Nutlin-3a, with stable binding to quercetin.