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September 10, 2025Advancements in Life SciencesOpen Access

Target-based Virtual Screening of Natural Compounds as Promising Anti-Parkinson’s Agents

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Authors

IHIsraa J. Hakeem

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Overview

Virtual screening identifies potential MAO-B inhibitors in natural compounds, suggesting new pathways for Parkinson's therapy.

Key Points

  • ZINC899884, ZINC4098705, ZINC14764165, and ZINC18847036 showed strong binding to MAO-B, indicating potential as inhibitors.
  • ADME analysis revealed these compounds have favorable gastrointestinal absorption properties, aligning them as possible therapies.
  • The study utilized virtual screening of 200 natural compounds against MAO-B, characterizing essential residue interactions.
  • Results suggest promising candidates for MAO-B inhibitors, although experimental validation is necessary for future development.

Cite This Study

Israa J. Hakeem (2025) studied this question.

synapsesocial.com/papers/68c23c66b210217d6478936ehttps://doi.org/10.62940/als.v12i2.3592
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  1. 1Pharmacophore-Based Virtual Screening of Alkaloids and Flavonoids for Designing Drugs with Inhibitory Activity on the Enzyme Monoamine Oxidase B2025
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  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