IN SILICO APPROACH FOR PARKINSON’S DISEASE BY TARGETING MAOB WITH ANTIOXIDANTS

Abstract

Parkinson disease (PD) is a central nervous system-affecting neurodegenerative neurological condition (mid brain). PD is marked by aberrant aggregation of protein called α-Synuclein, which is the major pathophysiological hall of disease. Other hallmark of Parkinson disease includes loss of dopaminergic neuron in the substantia nigra compacta (portion of mid brain), chronic activation of microglial cell and astrocytes, mitochondrial dysfunction, cellular toxicity, oxidative stress and brain inflammation. Among the motor and non-motor symptoms of Parkinson's disease are bradykinesia, tremor, and resting tremor. Yet there is no permanent cure of Parkinson disease however certain medication are help in the symptoms and reduce the cellular toxicity like Monoamine oxidase B inhibitors. An enzyme called monoamine oxidase, which is found at the outer membrane of mitochondria, is necessary for the peripheral breakdown of neuroactive and vasoactive amines and the central nervous system, predominantly by oxidative deamination. Drugs are therefore desperately needed to address the underlying illness rather than just its symptoms. Pterostilbene is a natural active compound, which is analog of resveratrol, have properties to lower the oxidative stress generated by H2O2 and other ROS. Pterostilbene is a antioxidant which regulate the level of ROS generated due to the increased level od monoamine oxidase B. Thus, pterostilbene can inhibit MAOB and reduce the symptoms of PD. Using molecular vii docking, we are investigating the interaction between the ligand and the protein. By evaluating the molecular docking data, we conclude that pterostilbene has lower binding free energy and thus can target PD symtoms.