Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapieMolecular Docking SimulationMolecular Dynamics SimulationMuscarinic AntagonistsStructure-Activity RelationshipAnimals
Balancing rigidity and flexibility: Optimised 4-(hexyloxy)benzoate antagonists with enhanced affinity and tuneable duration at muscarinic receptors.
Eva Dolejší, Eva Mezeiova, Jana Bláhová, Nikolai Chetverikov, Alena Janoušková-Randáková, Dominik Nelic, Lukas Prchal, Barbora Svobodova, John Boulos, Jan Korabecny, Jan Jakubík
Published: 202510.1016/j.biopha.2025.118653
Abstract
Muscarinic acetylcholine receptors (mAChRs) are key regulators of diverse physiological processes and longstanding therapeutic targets. Building on the long-acting antagonist KH-5, we synthesised and evaluated a series of 4-(hexyloxy)benzoate derivat…
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