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September 19, 2025Applied SciencesOpen Access

Pharmacophore-Based Virtual Screening of Alkaloids and Flavonoids for Designing Drugs with Inhibitory Activity on the Enzyme Monoamine Oxidase B

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Authors

ASAna Carolina de Jesus SilvaASAna Luísa SantosMBMariana Pegrucci Barcelos

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Overview

Pharmacophore-based virtual screening identified potential MAO-B inhibitors from alkaloids and flavonoids, suggesting new antiparkinsonian drug paths.

Key Points

  • Palmatine and genistein showed superior inhibitory activity on the MAO-B enzyme, indicating potential for Parkinson's treatment.
  • Pharmacokinetic and toxicological profiles were evaluated for selected alkaloids and flavonoids, highlighting their safety for further development.
  • Virtual screening methods were applied to identify and analyze ligand–receptor interactions for the discovered compounds.
  • In silico methodologies demonstrated the antiparkinsonian potential of several chemical structures targeting MAO-B.

Cite This Study

Silva et al. (2025) studied this question.

synapsesocial.com/papers/68d43804713b0b5dfea780ffhttps://doi.org/10.3390/app151810162
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Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1Target-based Virtual Screening of Natural Compounds as Promising Anti-Parkinson’s Agents2025
  2. 2Targeting MAO-B selectivity: computational screening, docking, and molecular dynamics insights.2025
  3. 3Design, synthesis, investigation, and biological activity assessments of <i>n</i>-allyl-2-(benzylidene) hydrazine-1-carbothioamide derivatives as monoamine oxidase-b inhibitor agents2025
  4. 4Monoamine Oxidase Inhibitors in Drug Discovery Against Parkinson’s Disease: A Brief Review2025
  5. 5Multi-target monoamine oxidase-B (MAO-B) inhibitors in the treatment of Parkinson’s disease2025