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Recent Advances in NMR Expanding its Role in Rational Drug Design

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The technology of nuclear magnetic resonance spectroscopy continues to advance at a rapid pace. Recent improvements in gradient technology and the coupling of NMR to various chromatography methods will provide new opportunities in drug discovery. These opportunities include rapid high throughput screening to determine the receptor-bound conformations of small organic ligands. NMR coupled to liquid chromatography has opened a new door to the quantitative and qualitative analysis of complex mixtures including metabolites extracted from body fluids and extracts contain-ing various natural products. This review will focus on the following four advances in NMR technology 1) pulse-field gradient (PFG) NMR, 2) SAR (structure activity relationship) by NMR, 3) LC-NMR (liquid chromatography), and 4) application of membrane models for the study of neuropeptides. The information content available to medicinal chemists from each experiment will be discussed.

Keywords: Dihydrofolate reductase; HPLC NMR; LC NMR; NOE Pump Sequence; Neuropeptides; Nuclear magnetic resonance spectroscopy; Pluse field gradien PFG NMR; RNP spectra; SAR; Sequence

Document Type: Review Article


Publication date: May 1, 2001

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  • Current Medicinal Chemistry covers all the latest and outstanding developments in medicinal chemistry and rational drug design. Each issue contains a series of timely in-depth reviews written by leaders in the field covering a range of the current topics in medicinal chemistry. Current Medicinal Chemistry is an essential journal for every medicinal chemist who wishes to be kept informed and up-to-date with the latest and most important developments.

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