Monoamine Oxidase (MAO) regulates monoamine neurotransmitters such as serotonin, dopamine and nor-adrenaline by oxidative deamination. MAO inhibitors are especially useful in treating people whose depression is combined with other problems such as anxiety, panic attacks, phobias, or the desire to sleep too much. Unfortunately the available drugs have serious side effects like ‘Cheese effect’ especially when taken with special foods, beverages etc. To ameliorate the situation the search can be focus on safer alternatives to the MAO’s. In this context we have identified novel ligand to target MAO-A isoform using target search options in zinc database. The docking analysis divulges that ligand zinc_667007 interact with MAO-A enzyme through hydrogen bonding, arene-cation interaction and nonbonding contacts. The analysis bring to a close that purine ring with carbonyl function plays imperative role, amide linkage added hydrogen bond acceptor feature, important for drug receptor interactions while terminal ethyl benzoate plays dual role as it was engaged in arene-cation as well as hydrogen bonding therefore enhance drug receptor interactions.
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