Asclepion
Abstract
Molecule 2: The "Cognitive Supercharger" (Alzheimer’s Focus)SMILES: FC1=CC=C(CC#CC23CCC(CC2)CC3)C(F)=C1NC(=O)OCC1=CC=NC=C1This structure targets the \bm{\alpha7} nAChR. It features the bicyclo[2.2.2]octane cage (C23CCC(CC2)CC3) and the critical pyridyl-carbamate link (NC(=O)OCC1=CC=NC=C1) designed to avoid metabolic staining. Molecule 1: The "Electrical Anchor" (Epilepsy Focus)SMILES: OCC(O)CN1C2=CC=C(F)C=C2C(=N1)NC(=O)C34CC(C#N)C3C4This molecule targets the \bm{Kv7} (KCNQ) potassium channel. It uses a unique bicyclic "cage" (the C34CC(C#N)C3C4 fragment) to lock into the channel's pore.
Fields of Study & Subjects
Nicotinic Acetylcholine Receptors Study
Computational Drug Discovery Methods
Cholinesterase and Neurodegenerative Diseases
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 3 March 2026
- Language
- EN
- Document type
- Dataset