Utility of NMR in Lead Optimization: Fragment-Based Approaches

Jeffrey R. Huth; Chaohong Sun

doi:10.2174/1386207023329941

Abstract

NMR has proven to be a valuable tool for identifying small molecule drug leads that serve as starting points for lead optimization programs. In addition, NMR screening can also be applied during lead optimization in order to improve the pharmacokinetic properties of a compound. In this paper we review the NMR methods that can be used for this purpose. Several examples are then summarized to demonstrate the usefulness of fragment-based approaches in optimizing the physical properties of potential drug candidates.

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Combinatorial Chemistry & High Throughput Screening

Title: Utility of NMR in Lead Optimization: Fragment-Based Approaches

Volume: 5 Issue: 8

Author(s): Jeffrey R. Huth and Chaohong Sun

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Abstract: NMR has proven to be a valuable tool for identifying small molecule drug leads that serve as starting points for lead optimization programs. In addition, NMR screening can also be applied during lead optimization in order to improve the pharmacokinetic properties of a compound. In this paper we review the NMR methods that can be used for this purpose. Several examples are then summarized to demonstrate the usefulness of fragment-based approaches in optimizing the physical properties of potential drug candidates.

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Jeffrey R. Huth and Chaohong Sun , Utility of NMR in Lead Optimization: Fragment-Based Approaches, Combinatorial Chemistry & High Throughput Screening 2002; 5 (8) . https://dx.doi.org/10.2174/1386207023329941