Efficiency of hit generation and structural characterization in fragment-based ligand discovery

详细信息    查看全文

• 作者：Andreas Larsson¹ ; Anna Jansson¹ ; Anders Å ; berg² ; ³ ; Pä ; r Nordlund¹ ; ² ; ^{pnordlund@ntu.edu.sg"" rel=""nofollow} ; ^{Par.Nordlund@ki.se"" rel=""nofollow}
• 刊名：Current Opinion in Chemical Biology
• 出版年：2011
• 出版时间：August 2011
• 年：2011
• 卷：15
• 期：4
• 页码：482-488
• 全文大小：617 K

文摘

Fragment-based ligand discovery constitutes a useful strategy for the generation of high affinity ligands with suitable physico-chemical properties to serve as drug leads. There is an increasing number of generic biophysical screening strategies established with the potential for accelerating the generation of useful fragment hits. Crystal structures of these hits can subsequently be used as starting points for fragment evolution to high affinity ligands. Emerging understanding of the efficiency and operative aspects of hit generation and structural characterization in FBLD suggests that this method should be well suited for academic ligand development of chemical tools and experimental therapeutics.