Elucidating the Medhya Role of Lashuna (Allium sativum L) Through in Silico Method with Special Reference to Alzheimer’s Disease

Introduction

In Ayurveda, Allium sativum (Lashuna) has been described in great detail as a Medhya medication that may improve cognitive function. The current study used molecular docking and in silico network pharmacology to clarify the molecular mechanisms behind its neuroprotective function in Alzheimer's disease.

Materials and Methods

Allium sativum phytochemicals were obtained from Dr. Duke's databases and IMPPAT 2.0. ADME and drug-likeness screening were then performed using SwissADME, BindingDB and UniProtKB were used for target prediction. GeneCards and the Human Protein Atlas provided disease-associated targets, and Venny 2.1.0 was used to find overlapping targets.

Results

A total of 181 targets, or 34 bioactive phytochemicals, were found; 79 of these targets overlapped with Alzheimer's disease. Important hub genes, including as GRM1, GRM5, and GRIN2B, were identified by Protein-Protein Interaction (PPI) studies. Significant participation in glutamatergic synapses, PI3K/Akt signaling pathways, and neuroactive ligand-receptor interactions was revealed by KEGG pathway analysis. Strong target interactions were shown by substances like apigenin, kaempferol, and quercetin, according to network topology. Molecular docking studies showed that Mocetinostat had the highest binding affinity, particularly with GRM1 (-11.6 kcal/mol), followed by quercetin and kaempferol, suggesting strong ligand-target interactions.

Discussion

Mechanistically, these compounds may exert neuroprotective effects through antioxidant, anti-inflammatory, anti-amyloidogenic, and epigenetic modulation pathways. In conclusion, Allium sativum demonstrates multi-targeted therapeutic potential against Alzheimer’s disease through modulation of key genes and signaling pathways.

Conclusion

However, further in vitro, in vivo, and clinical studies are required to validate these findings and establish its efficacy as a therapeutic agent.