Thieno[2,3-d]pyrimidines as Novel Scaffolds for Acetylcholinesterase Inhibitors: Synthesis, Biological Activity, and Molecular Studies | ||
| Egyptian Journal of Chemistry | ||
| Articles in Press, Accepted Manuscript, Available Online from 30 July 2025 | ||
| Document Type: Original Article | ||
| DOI: 10.21608/ejchem.2025.394718.11912 | ||
| Authors | ||
| Nourhan Magdi Fahmy* 1; Ebtesam A Basiony2; Adel A-H Abdel-Rahman3; nasser A Hassan4 | ||
| 1Monufia university , faculty of science | ||
| 2Department of Chemistry,Faculty of Science, Menofia University,Shibin El-Kom | ||
| 3Chemistry Department, Faculty of Science, Menoufia University, Shebin El-Koam, EGYPT. | ||
| 4NRC | ||
| Abstract | ||
| inhibitory activity as potential anti-Alzheimer’s agents. The synthesized compounds were characterized through various spectroscopic techniques. Improved activity was observed in molecules containing hydrogen-bond donors and electron-donating moieties, as indicated by SAR findings. Compound 6 showed the highest potency with an IC50 of 0.199 µM. Molecular docking studies demonstrated strong π–π stacking and hydrogen bonding interactions between 6 and key residues in the AChE active site. In silico ADME profiling confirmed drug-like properties in accordance with Lipinski’s rule of five. These results suggest thieno[2,3-d]pyrimidines as promising scaffolds for the development of novel AChE inhibitors. | ||
| Keywords | ||
| Thieno[2,3-d]pyrimidine; phosgene-iminium chloride; anti-Alzheimer'; s activity; molecular docking; molecular dynamics | ||
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