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Ganoderic Acid A targeting leucine-rich repeat kinase 2 involved in Parkinson’s disease–A computational study

Summary

Researchers used computer modeling to test five compounds from Reishi mushrooms against a protein called LRRK2 that is linked to Parkinson’s disease. Ganoderic Acid A showed the strongest binding to this target protein and could potentially be developed into a treatment. The findings suggest that Reishi mushroom compounds may help protect brain cells from the degeneration seen in Parkinson’s disease and warrant further laboratory and animal testing.

Background

Parkinson’s disease is the second most prevalent neurological disorder affecting movement control. LRRK2 mutations cause autosomal dominant Parkinson’s disease and represent an emerging therapeutic target. Ganoderma lucidum (Reishi mushroom) has multiple medicinal properties including immune-stimulating, anti-inflammatory, and neuroprotective activities.

Objective

This study aimed to identify the most promising compound from Ganoderma lucidum extract targeting LRRK2 protein involved in Parkinson’s disease through computational analysis. Five bioactive compounds from Reishi mushroom were evaluated using molecular docking, dynamics simulation, and binding affinity calculations.

Results

ADMET analysis confirmed all five compounds follow Lipinski’s rule of five. Molecular docking showed binding affinities ranging from -3.0 to -3.4 kcal/mol. Molecular dynamics and MMGBSA results identified Ganoderic Acid A as the most promising compound with a binding affinity of -92.47 kcal/mol against LRRK2.

Conclusion

Ganoderma lucidum demonstrates multiple therapeutic properties including cytotoxic, hepatoprotective, antioxidative, anticancer, and neuroprotective activities. Ganoderic Acid A was identified as the best compound targeting LRRK2 for Parkinson’s disease treatment and requires rigorous in vitro and in vivo validation.
  • Published in:Aging Medicine,
  • Study Type:Computational Study,
  • Source: PMID: 37711263, DOI: 10.1002/agm2.12235
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