Pharmacia & Upjohn Company

Nerviano Medical Sciences S.r.l.

Brian J Stockman

Claudio Dalvit

Kathleen A Farley

Maria Flocco

A method of identifying a ligand to a target molecule that includes: providing a reference compound that interacts with the target molecule; collecting a 1DH nuclear magnetic resonance spectrum of the reference compound in the presence of the target molecule; providing a plurality of test samples, each test sample including at least one test compound; collecting a 1DH nuclear magnetic resonance spectrum of the reference compound in the presence of each test sample and the target molecule; comparing the spectrum of the reference compound in the presence of the target molecule to the spectrum of the reference compound in the presence of each test sample and the target molecule to determine a change in one or more of the reference compound resonances; and identifying at least one test compound that interacts with the target molecule, wherein the test compound displaces the reference compound.

[object Object]

A method for developing a library of compounds, the compound library, a method for identifying ligands for target molecules, and a method for identifying lead chemical templates, which, for example, can be used in drug discovery and design are provided. Certain embodiments of these methods include the use of NMR spectroscopy.

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Kalamazoo, MI, United States of America

Brian J Stockman