ArticleFuture medicinal chemistry2025
Novel thiazole-thiadiazole as a potential anti-Alzheimer agent: synthesis and molecular interactions via an in silico study.
Article in Future medicinal chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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Who cites it
1 citing paper in PubMed.
- Computer-aided molecular engineering of novel imidazolone-chalcone conjugates as antidiabetic agent: synthesis, molecular docking, DFT study, enzyme kinetics and ADME profiling.Journal of computer-aided molecular design · 2026Article
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Authors and funding
6 authors.
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Abstract
aimThis study aimed to synthesize and evaluate a series of thiazole-derived thiadiazole-based Schiff base derivatives (1-16) for their potential anti-Alzheimer and antioxidant activities, with a focus on identifying promising drug-like candidates. MATERIALS &
methodsThe synthesized compounds were structurally characterized using
resultsAmong the tested compounds, derivative 8, bearing a trifluoromethyl substitution, showed the most potent activity against Alzheimer-related enzymes, surpassing the standard drug donepezil. Derivatives 3, 7, and 12 also exhibited significant bioactivity. Docking studies confirmed strong binding affinities of the active compounds to key residues within the enzyme active sites. ADMET analysis indicated favorable drug-likeness and safety profiles.
conclusionsThe synthesized Schiff-base derivatives, especially compound 8, demonstrated strong anti-Alzheimer and antioxidant activity. These findings suggest their potential as lead candidates for further development of multifunctional therapeutics targeting neurodegenerative disorders.
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