{"title":"塔克林类似物构效关系的研究:电子拓扑方法。","authors":"Murat Saracoglu, Fatma Kandemirli","doi":"10.2174/1874104500802010075","DOIUrl":null,"url":null,"abstract":"<p><p>In this study we investigated the structure-activity relationships by using the Electron- Topological Method (ETM) for a class of AChE inhibitors related to tacrine (9-amino-1,2,3,4-tetrahydroacridine) and 11 H-Indeno-[1,2-b]-quinolin-10-ylamine that tetracyclic tacrine analogues, a drug currently in use for the treatment of the AD. Molecular fragments being specific for active and inactive compounds were revealed by using ETM. The result of testing showed the high ability of ETM in predicting the activity and inactivity in investigated series.</p>","PeriodicalId":39133,"journal":{"name":"Open Medicinal Chemistry Journal","volume":" ","pages":"75-80"},"PeriodicalIF":0.0000,"publicationDate":"2008-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2709473/pdf/","citationCount":"9","resultStr":"{\"title\":\"The investigation of structure-activity relationships of tacrine analogues: electronic-topological method.\",\"authors\":\"Murat Saracoglu, Fatma Kandemirli\",\"doi\":\"10.2174/1874104500802010075\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>In this study we investigated the structure-activity relationships by using the Electron- Topological Method (ETM) for a class of AChE inhibitors related to tacrine (9-amino-1,2,3,4-tetrahydroacridine) and 11 H-Indeno-[1,2-b]-quinolin-10-ylamine that tetracyclic tacrine analogues, a drug currently in use for the treatment of the AD. Molecular fragments being specific for active and inactive compounds were revealed by using ETM. The result of testing showed the high ability of ETM in predicting the activity and inactivity in investigated series.</p>\",\"PeriodicalId\":39133,\"journal\":{\"name\":\"Open Medicinal Chemistry Journal\",\"volume\":\" \",\"pages\":\"75-80\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2008-08-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2709473/pdf/\",\"citationCount\":\"9\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Open Medicinal Chemistry Journal\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2174/1874104500802010075\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"Pharmacology, Toxicology and Pharmaceutics\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Open Medicinal Chemistry Journal","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2174/1874104500802010075","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"Pharmacology, Toxicology and Pharmaceutics","Score":null,"Total":0}
引用次数: 9
摘要
在这项研究中，我们利用电子拓扑方法(ETM)研究了一类与他林(9-氨基-1,2,3,4-四氢吖啶)和11 h -茚-[1,2-b]-喹啉-10-乙胺相关的乙酰胆碱抑制剂的结构-活性关系，四环他林类似物是目前用于治疗AD的药物。利用ETM分析了活性和非活性化合物的特异性分子片段。试验结果表明，ETM对研究序列的活性和不活性具有较高的预测能力。
The investigation of structure-activity relationships of tacrine analogues: electronic-topological method.
In this study we investigated the structure-activity relationships by using the Electron- Topological Method (ETM) for a class of AChE inhibitors related to tacrine (9-amino-1,2,3,4-tetrahydroacridine) and 11 H-Indeno-[1,2-b]-quinolin-10-ylamine that tetracyclic tacrine analogues, a drug currently in use for the treatment of the AD. Molecular fragments being specific for active and inactive compounds were revealed by using ETM. The result of testing showed the high ability of ETM in predicting the activity and inactivity in investigated series.
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