In-silico study of – 39 phytochemicals targeted against micelle-bound and Parkinson’s diseased patient’s ‘α-Synuclein’

AYUSHI .; Kunal Singh

doi:10.36948/ijfmr.2025.v07i06.62469

In-silico study of – 39 phytochemicals targeted against micelle-bound and Parkinson’s diseased patient’s ‘α-Synuclein’

Author(s)	Ms. AYUSHI ., Dr. Kunal Singh
Country	India
Abstract	‘α-Synuclein’ is encoded by SNCA gene, and is made up of 140 amino acids. The mutations Glu46Lys, His50Gln, and Ala53Glu can lead to the formation of insoluble aggregates and oligomers of α-Synuclein. Loss of dopaminergic neurons in the substantia nigra pars compacta and aggregation of ‘α-Synuclein’ protein in the form of Lewy bodies or Lewy neurites are the neuropathological hallmarks of Parkinson’s disease. This ‘α-Synuclein’ can spread from one cell to another, and also, from one region to other region, which dramatically promotes pathogenesis and progression of Parkinson’s disease. Curcumin has shown to prevent this aggregation of alpha-synuclein oligomer. In this research we made an attempt to find more phytochemicals like ‘Curcumin’ which can serve as the alternatives of ‘Curcumin’ against ‘α-Synuclein’. This in-silico research involved the docking analysis of ‘Curcumin’ and other 39 different phytochemicals against 2 different structures of α-Synuclein having PDB IDs – ‘1XQ8’ and ‘7XO1’. For this purpose 39 different phytochemicals were collected from IMPPAT database. Docking analysis showed that, Mahanimbine’, ‘Ergosterol’ and ‘Laurotetanine’ bound to the same cavity size of Alpha-Synuclein to which ‘Curcumin’ bound, and, these showed more negative vina scores than ‘Curcumin’. The binding affinity of the 2 different structures of α-Synuclein also varied. The binding affinity for most of these phytochemicals was found to reduce in the α-Synuclein of PD patients.
Keywords	α-Synuclein, Curcumin, Docking, Binding affinity
Field	Biology > Medical / Physiology
Published In	Volume 7, Issue 6, November-December 2025
Published On	2025-12-04
DOI	https://doi.org/10.36948/ijfmr.2025.v07i06.62469

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In-silico study of – 39 phytochemicals targeted against micelle-bound and Parkinson’s diseased patient’s ‘α-Synuclein’

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