Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors
文献类型：期刊论文
| 作者 | Xu, Zhijian1 ; Liu, Zheng2; Chen, Tong1; Chen, TianTian1; Wang, Zhen1; Tian, Guanghui1; Shi, Jing2; Wang, Xuelan2; Lu, Yunxiang3; Yan, Xiuhua1
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| 刊名 | JOURNAL OF MEDICINAL CHEMISTRY
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| 出版日期 | 2011-08-11 |
| 卷号 | 54期号:15页码:5607-5611 |
| ISSN号 | 0022-2623 |
| DOI | 10.1021/jm200644r |
| 文献子类 | Article |
| 英文摘要 | For proof-of-concept of halogen bonding in drug design, a series of halogenated compounds were designed based on a lead structure as new inhibitors of phosphodiesterase type S. Bioassay results revealed a good correlation between the measured bioactivity and the calculated halogen bond energy. Our X-ray crystal structures verified the existence of the predicted halogen bonds, demonstrating that the halogen bond is an applicable tool in drug design and should be routinely considered in lead optimization. |
| WOS关键词 | MOLECULES |
| 资助项目 | NNSF[20721003] ; CAS[KSCX2-YW-R-168] ; CAS[KSCX2-YW-R-208] ; Shanghai ST Foundation[09540703900] ; National Science & Technology Major Project[2009ZX09301-001] ; National Science & Technology Major Project[2009ZX09102-056] ; MOST[2010DFB73280] ; State Key Laboratory of Drug Research[SIMM1106KF-05] ; Natural Science Foundation of Shanghai[11ZR1408700] |
| WOS研究方向 | Pharmacology & Pharmacy |
| 语种 | 英语 |
| WOS记录号 | WOS:000293419400032 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/278442]  |
| 专题 | 药物化学研究室 中科院受体结构与功能重点实验室 新药研究国家重点实验室 药物发现与设计中心 |
| 通讯作者 | Xu, Yechun |
| 作者单位 | 1.Chinese Acad Sci, Shanghai Inst Mat Med, State key Lab Drug Res, Shanghai 201203, Peoples R China; 2.Topharman Shanghai Co Ltd, Shanghai 201209, Peoples R China; 3.E China Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China; 4.Univ Nottingham, Sch Pharm, Nottingham NG7 2RD, England |
| 推荐引用方式 GB/T 7714 | Xu, Zhijian,Liu, Zheng,Chen, Tong,et al. Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors[J]. JOURNAL OF MEDICINAL CHEMISTRY,2011,54(15):5607-5611. |
| APA | Xu, Zhijian.,Liu, Zheng.,Chen, Tong.,Chen, TianTian.,Wang, Zhen.,...&Zhu, Weiliang.(2011).Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors.JOURNAL OF MEDICINAL CHEMISTRY,54(15),5607-5611. |
| MLA | Xu, Zhijian,et al."Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors".JOURNAL OF MEDICINAL CHEMISTRY 54.15(2011):5607-5611. |
入库方式： OAI收割
来源：上海药物研究所
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