{"title":"Relationship Between the 5‐HT3 Receptor Pharmacophore and the Conformations of 5‐Hydroxytryptamine","authors":"C. Daveu, R. Bureau, S. Rault","doi":"10.1211/146080800128735665","DOIUrl":null,"url":null,"abstract":"A three-dimensional (3D) pharmacophore for 5-HT3 partial agonists has been developed, using the Catalyst program from a study of 3D structure-activity relationships. \n \n \n \nThe 3D pharmacophore has three chemical features in common with 5-hydroxy-tryptamine (5-HT)—an aromatic ring, a basic centre and a hydrogen-bond-acceptor group. Comparison of 5-HT conformations observed in crystals, and of computed conformations, with the pharmacophore has enabled identification of a biologically active conformation of 5-HT for 5-HT3 receptors, and an extended conformation of 5-HT has been found to agree with the three-dimensional arrangement of the pharmacophoric elements. This conformation of 5-HT might be required for interaction with 5-HT3 receptors in binding sites.","PeriodicalId":19946,"journal":{"name":"Pharmacy and Pharmacology Communications","volume":"92 1","pages":"73-76"},"PeriodicalIF":0.0000,"publicationDate":"2000-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Pharmacy and Pharmacology Communications","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1211/146080800128735665","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
A three-dimensional (3D) pharmacophore for 5-HT3 partial agonists has been developed, using the Catalyst program from a study of 3D structure-activity relationships.
The 3D pharmacophore has three chemical features in common with 5-hydroxy-tryptamine (5-HT)—an aromatic ring, a basic centre and a hydrogen-bond-acceptor group. Comparison of 5-HT conformations observed in crystals, and of computed conformations, with the pharmacophore has enabled identification of a biologically active conformation of 5-HT for 5-HT3 receptors, and an extended conformation of 5-HT has been found to agree with the three-dimensional arrangement of the pharmacophoric elements. This conformation of 5-HT might be required for interaction with 5-HT3 receptors in binding sites.
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