{"title":"5‐HT3受体药效团与5‐羟色胺构象的关系","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":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2000-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"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\":null,\"pages\":null},\"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}","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}
Relationship Between the 5‐HT3 Receptor Pharmacophore and the Conformations of 5‐Hydroxytryptamine
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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