An In Silico Approach Towards Identification of Novel Chalcone Derivatives as Potential Monoamine Oxidases Inhibitors

Parkinson's disease is a chronic and progressive neurological disorder of the central nervous system thataffects and disrupts the functioning of the body's motor system. In Parkinson's disease, Abnormalmitochondrial expression of the enzyme monoamine oxidases B (MAOB) causes the oxidation of compoundssuch as dopamine, serotonin, norepinephrine, ۲-phenylethylamine, etc. Oxidation of these compounds leadsto the production of reactive oxygen species, which by products ultimately lead to neurotoxic effects such asdisruption of neurotransmitters. Chalcones are unsaturated carbonyl α and β compounds that exhibit a varietyof biological effects. Recent studies show that chalcone derivatives also have good inhibitory effects on theMAOB enzyme. Today, various bioinformatics techniques are used in the manufacture and design ofmedicine to save time and money. Due to the need to develop inhibitory compounds that can selectively andreversibly have an inhibitory effect on the MAOB enzyme, in this study, we decided to design new chalconederivatives and study molecular docking and how they interact with the active site of the enzyme.

کلیدواژه ها:

Monoamine Oxidases B (MAOB) ، Molecular Docking ، Chalcone Derivatives ، Inhibitor