NMR and Drug Metabolism Core

The NMR and Drug Metabolism Core at Baylor College of Medicine offers tools to support the discovery, synthesis, screening, optimization, metabolism and pharmacokinetics of small molecule ligands or lead compounds. Our 600 and 800 MHz Bruker nuclear magnetic resonance (NMR) spectrometers are available for unassisted use by trained users, and user training in simple 1D and 2D NMR data acquisition and analysis is also available.

Expert services are available to determine small molecule identity or conformation, to identify and quantify metabolites, to determine macromolecular structure or detect perturbations upon ligand binding, or to screen compound libraries against purified targets. We investigate the metabolism, metabolic stability, and pharmacokinetics of small molecular weight compounds using liquid chromatography-mass spectrometry (LC-MS and MS/MS).

In addition to analyzing biological fluids or tissues, we assay stability in liver microsomes and perform reaction phenotyping against an array of CYP450s. Core personnel provide advice on the use of the supported methods for a wide variety of applications and assistance is available in project experimental design and data analysis.

The high field NMR instrumentation of the NMR and Drug Metabolism Core is available to Baylor College of Medicine and Texas Medical Center researchers for spectroscopy applications that range from simple 1D acquisitions lasting several minutes, to multi-dimensional/multi-nuclear investigations of macromolecule structure and dynamics lasting many hours, to ligand/macromolecule binding screens that analyze hundreds of samples and thousands of compounds over the course of days. The 600 and 800 MHz Bruker NMR spectrometers can be used at all hours by trained individuals, subject to availability on a public calendar. User training in simple 1D and 2D NMR data acquisition and analysis can be provided.

NMR data acquisition and analysis are also available through the core on a fee-for-service basis. The versatility of our instrumentation means we can tackle many kinds of experiments; common examples are listed below, but please inquire about other NMR approaches not listed. NMR requests for service should briefly indicate the type of sample and the question being addressed, and core personnel will be in touch to discuss possible ways to proceed. No charges are incurred for initial consultations or discussion of experimental design. We encourage the use of fee-for-service NMR as an initial foray, e.g. to obtain preliminary data for a grant, which then allows the researcher to decide whether or not to commit more resources based on the outcome of the experiments and of the availability of funding. Core personnel can help with grant-writing efforts that incorporate proposed NMR experiments and/or NMR preliminary data. Letters of support and personnel biosketches tailored to the needs of the proposal and indicating the availability of the core and its expertise are available upon request.