Recent progress in fragment-based drug discovery facilitated by NMR spectroscopy
文献类型：期刊论文
| 作者 | Wang, Lei2,3; Gao, Jia2,3; Ma, Rongsheng2; Liu, Yaqian2; Liu, Mingqing2; Zhong, Fumei2; Hu, Jie2; Li, Shuju2; Wu, Jihui2; Jiang, Hualiang1,3
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| 刊名 | Magnetic Resonance Letters
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| 出版日期 | 2022-05-10 |
| 卷号 | 2期号:2页码:107-118 |
| 关键词 | Fragment-based lead/drug discovery NMR spectroscopy Protein-ligand interaction Complex structure Hit-to-lead evolution |
| ISSN号 | 2772-5162 |
| DOI | 10.1016/j.mrl.2021.100025 |
| 英文摘要 | Considerable developments have been observed in fragment-based lead/drug discovery (FBLD/FBDD) recently, with four drugs approved and many others under investigation. Nuclear magnetic resonance (NMR) has gained increasing popularity in FBLD due to its intrinsic capability in characterizing protein-ligand interactions in a large dynamic range of affinity, from weak hits to highly potent drugs. Here, we summarize NMR applications in fragment-based hit-to-lead evolution, including the construction of a fragment library, screening methods, spectra processing, and the delineation of the protein-ligand binding modes. These state-of-the-art NMR techniques have been exemplified in the discovery of inhibitors against multiple targets over the past five years, and they are expected to continue to provide new insights in the future. |
| 语种 | 英语 |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/309258]  |
| 专题 | 新药研究国家重点实验室 |
| 通讯作者 | Zhang, Jiahai |
| 作者单位 | 1.Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai, 201203, China 2.Ministry of Education Key Laboratory for Membraneless Organelles & Cellular Dynamics, Hefei National Laboratory for Physical Sciences at the Microscale, School of Life Sciences, Division of Life Sciences and Medicine, University of Science and Technology of China, Hefei, 230027, China; 3.The First Affiliated Hospital of USTC, Division of Life Sciences and Medicine, University of Science and Technology of China, Hefei, 230001, China; |
| 推荐引用方式 GB/T 7714 | Wang, Lei,Gao, Jia,Ma, Rongsheng,et al. Recent progress in fragment-based drug discovery facilitated by NMR spectroscopy[J]. Magnetic Resonance Letters,2022,2(2):107-118. |
| APA | Wang, Lei.,Gao, Jia.,Ma, Rongsheng.,Liu, Yaqian.,Liu, Mingqing.,...&Ruan, Ke.(2022).Recent progress in fragment-based drug discovery facilitated by NMR spectroscopy.Magnetic Resonance Letters,2(2),107-118. |
| MLA | Wang, Lei,et al."Recent progress in fragment-based drug discovery facilitated by NMR spectroscopy".Magnetic Resonance Letters 2.2(2022):107-118. |
入库方式： OAI收割
来源：上海药物研究所
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