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Updated: Jan 13, 2026

Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps

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MT₁/MT₂および5-HT_2C受容体リガンドのマッピング：ケモタイプ、SAR、および多標的薬理作用

Alban Lepailleur¹, Damien Geslin¹, Johanna Giovannini¹

¹Université Caen Normandie, Normandie Univ, CERMN UR4258, F-14000 Caen, France.

Drug discovery today

|January 10, 2026

Abstract:

Understanding ligand selectivity and efficacy at melatonin (MT₁, MT₂) and serotonin (5-HT_2C) receptors remains a key challenge in central nervous system (CNS) drug discovery. Ligands combining MT₁/MT₂ 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.

キーワード:

5-HT(2C)セロトニン受容体メラトニン受容体多標的薬理作用構造活性相関（SAR）

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