{"title":"取代雷公胺辐射防护活性的模拟","authors":"V. Mukhomorov","doi":"10.37394/232023.2022.2.5","DOIUrl":null,"url":null,"abstract":"A close relationship was established between the bioactivity of substituted tryptaminoes and electronic, geometric, and informational factors. It is shown that for bioactive and inactive chemical compounds there are different interrelationships of electronic information factors. That is, a structural shift was found in the relationships of molecular parameters for bioactive molecules and weakly active drugs.The presence of a structural break does not contradict statistical criteria. The optimal sizes of the substituents have been determined.","PeriodicalId":336407,"journal":{"name":"MOLECULAR SCIENCES AND APPLICATIONS","volume":"63 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2022-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Modeling of Radioprotective Activity of Substituted Triptamines\",\"authors\":\"V. Mukhomorov\",\"doi\":\"10.37394/232023.2022.2.5\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A close relationship was established between the bioactivity of substituted tryptaminoes and electronic, geometric, and informational factors. It is shown that for bioactive and inactive chemical compounds there are different interrelationships of electronic information factors. That is, a structural shift was found in the relationships of molecular parameters for bioactive molecules and weakly active drugs.The presence of a structural break does not contradict statistical criteria. The optimal sizes of the substituents have been determined.\",\"PeriodicalId\":336407,\"journal\":{\"name\":\"MOLECULAR SCIENCES AND APPLICATIONS\",\"volume\":\"63 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2022-05-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"MOLECULAR SCIENCES AND APPLICATIONS\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.37394/232023.2022.2.5\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"MOLECULAR SCIENCES AND APPLICATIONS","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.37394/232023.2022.2.5","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Modeling of Radioprotective Activity of Substituted Triptamines
A close relationship was established between the bioactivity of substituted tryptaminoes and electronic, geometric, and informational factors. It is shown that for bioactive and inactive chemical compounds there are different interrelationships of electronic information factors. That is, a structural shift was found in the relationships of molecular parameters for bioactive molecules and weakly active drugs.The presence of a structural break does not contradict statistical criteria. The optimal sizes of the substituents have been determined.