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May 31, 2026Current Pharmaceutical Design

Unveiling the Mechanisms of Liujunzi Decoction in COVID-19/Lung Cancer Comorbidity: A Network Pharmacology and Molecular Docking Study

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Authors

PYPeipei YangQLQiurong LiJZJiaqian Zuo

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Overview

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.

Cite This Study

Yang et al. (2026) studied this question.

synapsesocial.com/papers/6a1bd2ab5783ba022b6fe148https://doi.org/10.2174/0113816128432323251208104645
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