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Overcoming the limitations of fragment merging: rescuing a strained merged fragment series targeting Mycobacterium tuberculosis CYP121.

作者信息

Hudson Sean A, Surade Sachin, Coyne Anthony G, McLean Kirsty J, Leys David, Munro Andrew W, Abell Chris

机构信息

Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK.

出版信息

ChemMedChem. 2013 Sep;8(9):1451-6. doi: 10.1002/cmdc.201300219. Epub 2013 Jun 20.

DOI:10.1002/cmdc.201300219
PMID:23788280
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4281926/
Abstract
摘要

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Application of fragment screening and merging to the discovery of inhibitors of the Mycobacterium tuberculosis cytochrome P450 CYP121.片段筛选与合并在结核分枝杆菌细胞色素P450 CYP121抑制剂发现中的应用
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UV resonance Raman spectroscopy monitors polyglutamine backbone and side chain hydrogen bonding and fibrillization.紫外共振拉曼光谱监测多聚谷氨酰胺主链和侧链氢键及纤维化。
Biochemistry. 2012 Jul 24;51(29):5822-30. doi: 10.1021/bi300551b. Epub 2012 Jul 12.
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Fragment-based approaches in drug discovery and chemical biology.
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J Med Chem. 2022 Feb 10;65(3):2149-2173. doi: 10.1021/acs.jmedchem.1c01684. Epub 2022 Jan 26.
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Structure-Activity Relationship and Mode-Of-Action Studies Highlight 1-(4-Biphenylylmethyl)-1H-imidazole-Derived Small Molecules as Potent CYP121 Inhibitors.结构-活性关系和作用机制研究强调 1-(4-联苯甲基)-1H-咪唑衍生的小分子作为有效的 CYP121 抑制剂。
ChemMedChem. 2021 Sep 16;16(18):2786-2801. doi: 10.1002/cmdc.202100283. Epub 2021 Jun 22.
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J Fungi (Basel). 2021 Jan 20;7(2):67. doi: 10.3390/jof7020067.
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Function, essentiality, and expression of cytochrome P450 enzymes and their cognate redox partners in Mycobacterium tuberculosis: are they drug targets?细胞色素 P450 酶及其在结核分枝杆菌中的同源氧化还原伴侣的功能、必要性和表达:它们是药物靶点吗?
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J Inorg Biochem. 2018 Mar;180:235-245. doi: 10.1016/j.jinorgbio.2018.01.010. Epub 2018 Jan 12.
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Combining hit identification strategies: fragment-based and in silico approaches to orally active 2-aminothieno[2,3-d]pyrimidine inhibitors of the Hsp90 molecular chaperone.结合命中识别策略:基于片段和计算机辅助方法寻找热休克蛋白90(Hsp90)分子伴侣的口服活性2-氨基噻吩并[2,3-d]嘧啶抑制剂
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