HormonesMelatonin

Taxifolin modulates circadian protein expression in a manner comparable to melatonin

Taxifolin, identified via virtual screening against the melatonin 1 receptor (MT1), showed a binding affinity of -9.527 kcal/mol and formed stable protein-ligand complexes in molecular dynamics simulations. Immunocytochemistry analysis indicated that taxifolin modulated circadian regulators CLOCK and BMAL1 expression similarly to melatonin in cellular models.

Last updated: Jul 8, 2026•0 RCTs•📖 Read as article →

Evidence Score

Evidence Score24/100
Human RCT☆☆☆☆☆
Meta-analysis☆☆☆☆☆
Mechanism★★★★★
Safety★★★★☆
Confidencelow

Study Evidence

Study 1. Integrative network pharmacology and molecular modelling identify taxifolin as a potential modulator of melatonin receptor MT1 in mood disorders.

observational

Bartwal SS, Chhabra V, Rai A, Murti K, Kumar N · Molecular diversity (2026)

Participants: N/A
Duration: N/A
Intervention: Taxifolin (natural compound) identified via structure-based virtual screening of ~150,000 natural compounds against MT1 receptor
Outcome: Binding affinity to MT1 receptor, stability of protein-ligand complex (RMSD/RMSF fluctuations, hydrogen bonding), modulation of circadian protein expression (CLOCK and BMAL1)
Effect Size: N/A
Population: In silico models and cellular models (immunocytochemistry analysis)

Result:

PubMed: 42377825DOI: 10.1007/s11030-026-11630-2

Mechanism Graph

Taxifolin binds to melatonin receptor MT1 with high affinity (-9.527 kcal/mol)
↓
Forms stable protein-ligand complex with sustained hydrogen bonding and reduced RMSD/RMSF fluctuations
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Modulates circadian protein expression (CLOCK and BMAL1) in a manner comparable to melatonin
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Indicates potential stabilization of melatonergic signaling in circadian-mood pathways

Limitations

  • ⚠Preliminary biological validation only via immunocytochemistry; no in vivo or clinical data provided
  • ⚠Computational modeling results require experimental confirmation of functional effects on mood disorders

Frequently Asked Questions

What is taxifolin?▼

Taxifolin is a natural flavonoid compound identified in this study as a potential modulator of the melatonin receptor MT1, showing high binding affinity and stable complex formation.

How was taxifolin identified?▼

Taxifolin was identified through structure-based virtual screening of approximately 150,000 natural compounds against the melatonin 1 receptor (MT1), followed by molecular dynamics simulations.

What does taxifolin do to circadian proteins?▼

Taxifolin modulated the expression of circadian regulators CLOCK and BMAL1 in a manner comparable to melatonin, as shown by immunocytochemistry analysis.

Is taxifolin a replacement for melatonin?▼

The study suggests taxifolin may be a safer natural alternative to synthetic melatonergic agents, but further research is needed to confirm its efficacy in mood disorders.

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References

  1. 1.Bartwal SS, Chhabra V, Rai A, Murti K, Kumar N. "Integrative network pharmacology and molecular modelling identify taxifolin as a potential modulator of melatonin receptor MT1 in mood disorders.." Molecular diversity, 2026. PMID: 42377825 DOI: 10.1007/s11030-026-11630-2
Disclaimer: This content is for educational purposes only and is not medical advice. Evidence scores reflect the quality and quantity of available research, not clinical recommendations. Always consult a healthcare professional before starting any supplement or intervention.