MOLECULAR DOCKING STUDIES OF MOA-B INHIBITORS - Singh, Rahul;Tripathi, Avinash C.
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The present study was aimed at molecular docking studies of known inhibitors of MAO protein is to understand the binding interactions between the inhibitor and the enzyme at a molecular level. All Candidates from the database were selected as potential leads against MAO -B enzyme. The structural diversity has been observed in the compounds. The high affinity of the ligand Befloxatone is attributed to its four binding interactions at the active site of the protein. And other compounds also shows good binding energy. Thus, the obtained hits could be treated as good leads in the design of potent…mehr

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Produktbeschreibung
The present study was aimed at molecular docking studies of known inhibitors of MAO protein is to understand the binding interactions between the inhibitor and the enzyme at a molecular level. All Candidates from the database were selected as potential leads against MAO -B enzyme. The structural diversity has been observed in the compounds. The high affinity of the ligand Befloxatone is attributed to its four binding interactions at the active site of the protein. And other compounds also shows good binding energy. Thus, the obtained hits could be treated as good leads in the design of potent inhibitors of MAO- B enzyme, most commonly found to be expressed in the Parkinson's patients.
Autorenporträt
Rahul Singh is a dedicated researcher passionate about bridging the gap between academia and industry. His primary focus is on leveraging bioinformatics tools to expedite pre-clinical drug discovery and development. His research interests include Computational Drug Design, Molecular Modeling and Simulation, Pharmacophore Modeling, etc.