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A. Aqeel

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Oct 2026

Rational modification of olive derived 4-ethylguaiacol into a BBB-permeable acetylcholinesterase inhibitor via molecular docking, DFT, and molecular dynamics: a computational approach to alzheimer's drug discovery.

Alzheimer's disease (AD) affects more than 55 million people worldwide, yet no disease-modifying therapy has been approved. Here, 23 phytochemicals from Olea europaea (olive) were evaluated using a multi-filter pipeline comprising ADME/drug-likeness screening, BBB permeability assessment, molecular docking, DFT analysi...

A. Aqeel, F. Bashir, M. Asad et al. · 0 citations

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