No matter the source of compounds, drug discovery campaigns focused directly on the target are entirely dependent on a consistent stream of reliable data that reports on how a putative ligand interacts with the protein of interest. The data will derive from many sources including enzyme assays and many types of biophysical binding assays such as TR-FRET, SPR, thermophoresis and many others. Each method has its strengths and weaknesses, but none is as information rich and broadly applicable as NMR. Here we provide a number of examples of the utility of NMR for enabling and providing ongoing support for the early pre-clinical phase of small molecule drug discovery efforts. The examples have been selected for their usefulness in a commercial setting, with full understanding of the need for speed, cost-effectiveness and ease of implementation.

无论化合物的来源如何，直接针对目标的药物发现活动完全取决于一致的可靠数据流，该数据流报告了假定的配体如何与目标蛋白质相互作用。数据将来自许多来源，包括酶测定和许多类型的生物物理结合测定，例如TR-FRET，SPR，热泳等。每种方法都有其优点和缺点，但是没有一个信息比NMR具有更多的信息和广泛的适用性。在这里，我们提供了NMR实用程序的许多示例，这些实用程序可为小分子药物发现工作的早期临床前阶段提供支持并提供持续的支持。选择这些示例是出于其在商业环境中的有用性，同时充分了解了对速度，成本效益和易于实施的需求。