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September 10, 2025Cellular and Molecular NeurobiologyOpen Access

Identification of Novel Scaffolds Against GSK-3β for Targeting Alzheimer’s Disease Through Molecular Modeling Techniques

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Authors

SHShafiul HaqueDMDarin Mansor MathkorMWMohd Wahid

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Overview

Virtual screening identifies potential GSK-3β inhibitors in targeting Alzheimer's disease, suggesting new treatment avenues.

Key Points

  • VL-1 and VL-2 are promising lead compounds for developing GSK-3β-based therapies against Alzheimer's disease.
  • The study screened approximately 200,000 compounds, identifying four with favorable binding scores for GSK-3β.
  • Using pharmacophore-based virtual screening and molecular docking, two compounds displayed strong binding interactions.
  • Further in vivo studies are necessary to validate the therapeutic potential of VL-1 and VL-2 against Alzheimer's disease.

Cite This Study

Haque et al. (2025) studied this question.

synapsesocial.com/papers/68c1afd354b1d3bfb60e82bfhttps://doi.org/10.1007/s10571-025-01568-8
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Also Consider

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

  1. 1In silico pipeline for GSK 3β inhibitor discovery in Alzheimer’s disease using pharmacophore screening, docking, ADME filtering, and MD validation2026
  2. 2Discovery of Small‐Molecules as Potential GSK‐3β Inhibitors for the Treatment of Alzheimer's Disease Using Pharmacophore‐Based Virtual Screening2024 · 10 citations
  3. 3Machine learning guided virtual screening of FDA approved drugs targeting GSK-3β in Alzheimer’s disease2025 · 5 citations
  4. 4Integrated machine learning, molecular docking, and molecular dynamics simulations for in silico identification of GSK3β inhibitors for Alzheimer’s disease2026
  5. 5Molecular docking studies and molecular dynamic simulation analysis: To identify novel ATP-competitive inhibition of Glycogen synthase kinase-3β for Alzheimer’s disease2024 · 2 citations