{"title":"基于ab initio片段分子轨道计算，阐明设计新型吡咯酰胺衍生物作为潜在GyrB抑制剂的特定相互作用","authors":"Paptawan Thongdee, Yoshinobu Nagura, Haruna Sabishiro, Naruedon Phusi, Darunee Sukchit, Pharit Kamsri, Auradee Punkvang, Khomson Suttisintong, Pornpan Pungpo, Noriyuki Kurita","doi":"10.1080/07391102.2023.2291178","DOIUrl":null,"url":null,"abstract":"Tuberculosis (TB), the second leading infectious killer, causes serious public health problems worldwide. To develop novel anti-TB agents, many biochemical studies have targeted the subunit B of DN...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"72 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2023-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Elucidating specific interactions for designing novel pyrrolamide derivatives as potential GyrB inhibitors based on ab initio fragment molecular orbital calculations\",\"authors\":\"Paptawan Thongdee, Yoshinobu Nagura, Haruna Sabishiro, Naruedon Phusi, Darunee Sukchit, Pharit Kamsri, Auradee Punkvang, Khomson Suttisintong, Pornpan Pungpo, Noriyuki Kurita\",\"doi\":\"10.1080/07391102.2023.2291178\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Tuberculosis (TB), the second leading infectious killer, causes serious public health problems worldwide. To develop novel anti-TB agents, many biochemical studies have targeted the subunit B of DN...\",\"PeriodicalId\":15085,\"journal\":{\"name\":\"Journal of Biomolecular Structure and Dynamics\",\"volume\":\"72 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-12-08\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Biomolecular Structure and Dynamics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1080/07391102.2023.2291178\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Biomolecular Structure and Dynamics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1080/07391102.2023.2291178","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Elucidating specific interactions for designing novel pyrrolamide derivatives as potential GyrB inhibitors based on ab initio fragment molecular orbital calculations
Tuberculosis (TB), the second leading infectious killer, causes serious public health problems worldwide. To develop novel anti-TB agents, many biochemical studies have targeted the subunit B of DN...
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