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Original source
Mapping ligands for MT 1 /MT 2 and 5-HT 2C receptors: Chemotypes, SAR, and polypharmacology.
Alban Lepailleur, Damien Geslin, Johanna Giovannini, Bertrand Cuissart, Jean-Luc Lamotte, Ronan Bureau · Drug discovery today · 2026
Source abstract
Understanding ligand selectivity and efficacy at melatonin (MT 1 , MT 2 ) and serotonin (5-HT 2C ) receptors remains a key challenge in central nervous system (CNS) drug discovery. Ligands combining MT 1 /MT 2 agonism with 5-HT 2C antagonism are of therapeutic relevance in depression and circadian rhythm disorders. This review provides a comprehensive overview of ligands reported for these receptors in ChEMBL, with an emphasis on compounds evaluated across multiple targets. A pharmacophore-based approach was applied to group ligands by shared features, revealing pharmacomodulations influencing receptor selectivity and polypharmacology. Together, these insights can inspire the rational design of selective or polypharmacological ligands, offering new opportunities for multitarget drug discovery.
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