Molecular Mechanism of Yangshen Maidong Decoction in the Treatment of Chronic Heart Failure based on Network...

Area of Science:

• Integrative Medicine
• Computational Biology
• Cardiovascular Research

Background:

• Chronic heart failure (CHF) is a severe clinical syndrome with high mortality and morbidity.
• Yangshen Maidong Decoction (YSMDD) is a traditional remedy for heart conditions, but its mechanism in CHF is not well understood.
• Understanding YSMDD's molecular action is crucial for optimizing CHF treatment strategies.

Purpose of the Study:

• To elucidate the molecular mechanism of YSMDD in treating chronic heart failure (CHF).
• To identify key active ingredients and molecular targets of YSMDD relevant to CHF.
• To validate the binding affinity of YSMDD components with CHF targets using computational methods.

Main Methods:

• Employed a network pharmacology approach to predict YSMDD's active components and targets against CHF.
• Utilized molecular docking and molecular dynamics simulations to assess binding affinities.
• Analyzed enriched pathways including Prostate cancer, Hepatitis B, and C-type lectin receptor signaling.

Main Results:

• Identified 10 main active ingredients and 6 key targets of YSMDD for CHF treatment via network pharmacology.
• Pathway enrichment analysis highlighted significant involvement in cancer and immune-related signaling.
• Molecular simulations confirmed high binding affinity between 5 active ingredients and 5 key targets.

Conclusions:

• YSMDD exerts its therapeutic effects on CHF through multiple active components and molecular mechanisms.
• The study provides a computational basis for YSMDD's efficacy in chronic heart failure.
• Findings offer valuable insights for further research and clinical application of YSMDD in CHF management.