Identification of monoamine oxidase inhibitor from phytoconstituents of Nardostachys jatamansi: An in-silico study
DOI:
https://doi.org/10.55184/ijpas.v78i01.586Keywords:
Monoamine Oxidase B (MAO-B), Parkinson’s disease, Nardostachys jatamansi, Molecular docking, Dopamine, IMPPAT databaseAbstract
Background: Parkinson’s disease is a common neurodegenerative disorder affecting older adults. It is characterized by symptoms such as poor balance, tremors, muscle rigidity, and difficulty coordinating movement. These clinical features arise primarily from the loss of dopamine-producing neurons in the central nervous system, where monoamine oxidase plays a key role in degrading dopamine. This study aims to discover potential monoamine oxidase inhibitors from Nardostachys jatamansi that may help slow dopamine degradation. Materials and methods: Phytoconstituents from the root of Nardostachys jatamansi were identified using the IMPPAT database, and SDF files of 25 phytoconstituents were obtained from the PubChem database. Results: After ADMET screening and docking analysis, two compounds, namely Pinoresinol and Virolin, were selected for MD simulations. Among the pinoresinol and virolin, pinoresinol showed a higher binding affinity in molecular docking and MD simulations. Conclusion: This study demonstrates that pinoresinol exhibits potent inhibitory activity against MAO-B.
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