In silico identification of potent inhibitors of alpha-synuclein aggregation and its in vivo evaluation using MPTP induced Parkinson mice model

摘要: Abstract Parkinson disease is a progressive neurodegenerative disorder characterized by the presence of Lewy bodies with dense α-synuclein self-aggregation which responsible for its toxic effect on Substantia nigra pars compacta and resultant neuronal death. Hence, blocking alpha-synuclein aggregation new channel to cure PD. This study initially investigates drug likeness ADMET properties CNB-001, 7,8 dihydroxyflavone, curcumin, naringenin emodin inhibitory (PDB: 1XQ8 ) via molecular docking (LeadIT). Results revealed that ligands satisfy best-fit were associated VAL95, GLU83 ALA91 as major amino acid residues receptor site. Moreover, CNB-001 showed potent than other compounds score –13.6158. Further, we investigated against expression using MPTP induced mice model. explicated confirmed inhibited significantly when compared group evinced western blotting. Therefore, these results attribute can be further developed promising therapeutic candidate PD treatment.