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Bedaquiline is first of its type that has been specifically introduced for the management of <jats:styled-content style=\"fixed-case\">MDR<\/jats:styled-content>\u2010<jats:styled-content style=\"fixed-case\">TB<\/jats:styled-content> in combination with other drugs. In this study, a series of isoniazid\/ethambutol\/pyrazinamide\/\u2010quinoline conjugates based on the structures of bedaquiline were designed and synthesized. Biological activity tests revealed that some of isoniazid\/ethambutol\/quinoline conjugates have useful antibiotic activity against <jats:styled-content style=\"fixed-case\">MTB<\/jats:styled-content> H37Rv (<jats:styled-content style=\"fixed-case\">MIC<\/jats:styled-content>: 2.0\u20138.0\u00a0\u03bcg\/ml). Furthermore, molecular docking calculations were performed for the most potent inhibitor to show its binding interactions within the active site of the possible target protein. Overall, these compounds represent novel valuable starting point with potent antimycobacterial activity and deserve further structural modifications.<\/jats:p>","DOI":"10.1111\/cbdd.13142","type":"journal-article","created":{"date-parts":[[2017,11,11]],"date-time":"2017-11-11T15:12:36Z","timestamp":1510413156000},"page":"769-780","source":"Crossref","is-referenced-by-count":2,"title":["A structure\u2010based strategy toward the development of novel candidates for antimycobacterial activity: Synthesis, biological evaluation, and docking study"],"prefix":"10.1111","volume":"91","author":[{"given":"Linhu","family":"Li","sequence":"first","affiliation":[{"name":"Institute of Medicinal Biotechnology Chinese Academy of Medical Sciences and Peking Union Medical College  Beijing China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2890-395X","authenticated-orcid":false,"given":"Yuanyuan","family":"Jin","sequence":"additional","affiliation":[{"name":"Institute of Medicinal Biotechnology Chinese Academy of Medical Sciences and Peking Union Medical College  Beijing China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Bin","family":"Wang","sequence":"additional","affiliation":[{"name":"Beijing Key Laboratory of Drug Resistance Tuberculosis Research Department of Pharmacology Beijing Tuberculosis and Thoracic Tumor Research Institute  Beijing Chest Hospital Capital Medical University  Beijing China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zhaoyong","family":"Yang","sequence":"additional","affiliation":[{"name":"Institute of Medicinal Biotechnology Chinese Academy of Medical Sciences and Peking Union Medical College  Beijing China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mingliang","family":"Liu","sequence":"additional","affiliation":[{"name":"Institute of Medicinal Biotechnology Chinese Academy of Medical Sciences and Peking Union Medical College  Beijing China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Huiyuan","family":"Guo","sequence":"additional","affiliation":[{"name":"Institute of Medicinal Biotechnology Chinese Academy of Medical Sciences and Peking Union Medical College  Beijing China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jun","family":"Zhang","sequence":"additional","affiliation":[{"name":"Institute of Medicinal Biotechnology Chinese Academy of Medical Sciences and Peking Union Medical College  Beijing China"},{"name":"Zhejiang Starry Pharmaceutical Co. 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