MOLECULAR DOCKING STUDIES AND PREDICTION OF ACTIVE COMPOUNDS AGAINST PARKINSON’S DISEASE

Parkinson’s disease is the most recurrent neurodegenerative disease after Alzheimer’s
disease. This disease is caused by the subsequent loss of dopaminergic neurons in
substantial nigra pars contact. Parkinson’s disease is identified by the aggregation of
Lewy bodies which are formed by the accretion of alpha-syncline in to neurons. DJ-1
is a 189 long amino-acid protein which undergoes mutation and identified as an early
cause of Parkinson’s disease. This study aims to find active compounds against the
proteins 6afl and 6afd, which are chosen as a target retrieved from protein data bank as they are responsible for the neurodegeneration of neurons and which is possible by using in silco approach. Blind molecular docking studies were done against the two proteins 6afl and 6afd with the lead compounds and toxicity properties were calculated to find the compounds with the best conformations having drug-likeness properties Thus the top selected compounds can be used as drug to treat Parkinson’s disease.
Keywords: 6afl, 6afd, dopaminergic, Substantia nigra, DJ-1.