MOLECULAR DOCKING STUDIES OF MOA-B INHIBITORS: Monoamine oxidase inhibitor docking

Singh, Rahul; Tripathi, Avinash C.

ISBN 10: 6208417104 ISBN 13: 9786208417109

Editore: LAP LAMBERT Academic Publishing, 2024

Lingua: Inglese

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Titolo

MOLECULAR DOCKING STUDIES OF MOA-B INHIBITORS: Monoamine oxidase inhibitor docking

Editore

LAP LAMBERT Academic Publishing

Data di pubblicazione

2024

Lingua

Inglese

ISBN 10

6208417104

ISBN 13

9786208417109

Rilegatura

Brossura

Condizione

New

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Riassunto

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.

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