Most Potential Neuroprotective compound isolated from Allium sativum Targeting Alpha Synuclein involved in Parkinson’s Disease identified through Molecular Docking and MTT Assay

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Abstract Background -Parkinson’s Disease (PD) is the second most common neurodegenerative disorder after Alzheimer’s Disease (AD) which is marked by symptoms like tremors, muscle weakness, etc. Still, levodopa is considered a gold standard drug for PD which just reduces symptoms and there is an urgent need for drugs for permanent cure of PD. In this study, we are investigating nine neuroprotective compounds extracted from Garlic as it has medicinal properties like reducing inflammation. In this study, we are identifying the most promising compound from nine compounds. Methodology - First molecular docking was performed for all nine compounds using AutoDock 4.2.6 in which we considered Alpha-Synuclein as the target protein. After molecular docking based on binding affinities, we proceed toward the MTT assay. Result - The binding affinity of the nine compounds lies between −5.1 and −10.8 kcal/mol, In this study allicin and E-ajone show a binding affinity of -10.4 kcal/mol. So, for further in vitro study we took alliin, allicin, ajone, and diallyl disulfide and performed an MTT assay for all four compounds on rotenone-induced neurotoxicity in the SHSY5Y neuroblastoma cell line. Conclusion - Based on in silico and in vitro findings we reach to the conclusion that allicin is the most promising neuroprotective compound from all nine compounds of Garlic but still depth in vitro and in vivo analysis is needed before we proceed toward clinical trials.

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