Receptor.AI Breaks New Ground with Revolutionary M3 Inhibitors

Our latest research, "Computer-Aided Design of mAChRs M3: Promising Compounds Among Trifluoromethyl Containing Hexahydropyrimidinones/Thiones," has been identified.

In this study, we used computational approaches to identify highly selective inhibitors of the M3 subtype of muscarinic acetylcholine receptors (mAChRs M3), which could be prototypes for effective COPD and asthma treatment drugs. Our research led us to the discovery of compounds THPT-1 and THPO-4, both demonstrating substantial efficacy in competitively inhibiting signal conduction through mAChR3 at concentrations that don't significantly affect mAChR2, nicotinic cholinergic, and adrenergic receptors.

This achievement is a testament to the expertise and dedication of our CTO, Sergii Starosyla, and our collaborator Mykola Protopopov from Chemspace, et al. These findings provide a promising foundation for the development of a new generation of cholinolytic drugs with directed action on mAChR3.

We're thrilled to share this progress with the scientific community and look forward to continuing our work in advancing drug discovery by combining AI, experimental techniques and molecular simulations.