| Literature DB >> 21714539 |
Zhijian Xu1, Zheng Liu, Tong Chen, TianTian Chen, Zhen Wang, Guanghui Tian, Jing Shi, Xuelan Wang, Yunxiang Lu, Xiuhua Yan, Guan Wang, Hualiang Jiang, Kaixian Chen, Shudong Wang, Yechun Xu, Jingshan Shen, Weiliang Zhu.
Abstract
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 5. 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.Entities:
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Year: 2011 PMID： 21714539 DOI： 10.1021/jm200644r
Source DB: PubMed Journal: J Med Chem ISSN： 0022-2623 Impact factor: 7.446