Using NMR for ligand discovery and optimization

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• 作者：Villar ; Hugo O ; Yan ; Jiangli ; Hansen ; Mark R
• 关键词：ADME ; availability ; distribution ; metabolism and excretion ; SAR ; structure&ndash ; activity relationship ; STD ; saturation transfer difference ; WaterLOGSY ; water&ndash ; ligand observed via gradient spectroscopy
• 刊名：Current Opinion in Chemical Biology
• 出版年：2004
• 出版时间：August, 2004
• 年：2004
• 卷：8
• 期：4
• 页码：387-391
• 全文大小：95.2 K

文摘

Several recent technology-driven advances in the area of NMR have rekindled an interest in the application of the technology to problems in drug discovery and development. A unique aspect of NMR is that it has applicability in broadly different areas of the drug discovery and optimization processes. NMR techniques for screening aimed at the discovery of novel ligands or low molecular weight structures for fragment-based build up procedures are being applied commonly in the industry. Application of NMR in structure-guided drug design and metabonomics are also becoming routine. We present an overview of some of the most recent NMR developments in these areas.