In silico identification of natural Alzheimer inhibitors targeting GSK-3β using receptor-based pharmacophore and molecular modeling studies

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ID: 309165
2025
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Abstract
The discovery of an ideal, and effective Alzheimer’s therapy is urgently required. The main pathological hallmarks of Alzheimer’s disease are neurofibrillary tangles, amyloid plaques, inflammation, and neuronal atrophy. Reports suggested Glycogen Synthase Kinase-3β is a promising target for exploring novel therapeutic regimens. The main objective of this study is to explore, and decipher natural inhibitors that can target GSK-3β protein effectively. The receptor-based pharmacophore modeling of GSK-3β protein was developed and screened against CNS-like natural databases. The final survival hits aligning accurately with the pharmacophoric features was assessed for molecular docking studies. Taking standard control of GSK-3β, Batatasin III, and Gigantol were confirmed as the best hits based on their binding free energies, molecular interactions, and optimal ADMET profiles. Our findings represent a promising starting point for developing novel natural regimens however rigorous testament is imperative through biological screening which is still underway.
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imported_1761926446_6904dd2e4053d Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Jeevan Patra
Journal International Journal of Pharmaceutical Drug Design (IJPDD)
Year 2025
DOI
10.62896/ijpdd.2.5.11
URL
https://ijpdd.org/index.php/files/article/view/278
Keywords Keywords not found

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