ArticleMolecular diversity2026
Acetylcholinesterase inhibitory activity of phthalimide derivatives as anti-alzheimer agents: QSAR, ARKA, Hybrid ARKA-RASAR, virtual screening, molecular docking and ADMET studies.
Article in Molecular diversity, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Alzheimer's disease (AD) is a chronic neurodegenerative disorder and a leading cause of dementia worldwide, characterized by progressive cognitive and memory decline. The impaired cholinergic neurotransmission in the brain is a major pathological feature of AD. Therefore, enhancing cholinergic function is a key therapeutic strategy for its management. In this study, a dataset of 111 phthalimide derivatives with experimental anti-AD activity was collected from various literature. Further, quantitative structure-activity relationship (QSAR) modelling was performed to determine key structural features governing acetylcholinesterase (AChE) inhibitory activity of phthalimide derivatives. Furthermore, Arithmetic Residuals in K-Groups Analysis (ARKA) was employed to develop ARKA and hybrid ARKA-RASAR models, that enabled the interpretation of QSAR descriptors in different response ranges and identification of similarity between closely related compounds as well as improving the predictive reliability of the QSAR model. All the developed models showed strong internal predictivity (R
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