NMR-based Pharmacometabonomics

In the process of drug development, the evaluation of the efficacy of drug candidates on the animal model is an essential link. The effect of a new drug candidate is finally confirmed in the animal pharmacology and disease models, only then can the biologically active compound be transformed into the drug candidate and enter the development stage. However, experimental animals with similar genetic backgrounds can exhibit different effects or toxic reactions after receiving the same chemical or dietary interventions. This makes it difficult to collect or reproduce data from animal experiments, to a certain extent, increase the difficulty of drug candidate evaluation, and even cover up the actual efficacy or toxicity of the drug candidate, bringing risks to clinical application.

The typical pulse sequences utilized in NMR-based pharmacometabonomics and the respective spectra of plasma sample. Figure 1. The typical pulse sequences utilized in NMR-based pharmacometabonomics and the respective spectra of plasma sample. (Zhang L.; et al. 2016)

Pharmacometabonomics, as a systematic approach, can play a huge role in these aspects. The study of metabolomics can distinguish the metabolic states of different animal models, look for the metabolic differences in human disease states, and find animal models more suitable for studying human diseases. Creative Biostructure offers NMR-based pharmacometabonomics solutions to help you select appropriate animal models, evaluate drug metabolism, better understand the pharmacokinetic properties, and assess drug safety through the quantification and analysis of metabolites.

Analytical capabilities of NMR in Pharmacometabonomics:

  • Powerful structure elucidation capability for metabolites in solution
  • Quantitative analysis capability
  • High-throughput form of sample analysis
  • Minimal sample preparation and direct measurement of biological samples
  • Sample can be completely recovered after analysis

Data analysis workflow for NMR-based metabolomics experiments:

  • NMR experimental condition optimization including checking resolution, line shape and water suppression quality
  • Spectroscopic data pre-processing using software, such as baseline correction, assignments
  • Multivariate statistical data analysis to determine biomarkers

Advantages of our NMR-based Pharmacometabonomics services:

  • Our advanced equipment supports high-throughput analysis to ensure efficiency and cost.
  • Provides excellent, highly reproducible, and non-selective quantitative analysis.
  • We utilize this technology to select the optimal animal pharmacology and disease models to ensure the data quality of preclinical studies.
  • During the analysis, a great deal of molecular information can be provided, including metabolite concentration, structure, and flux through pathways and it also helps to elucidate the flow of metabolic pathways and their connections.
  • Our scientists from the professional drug discovery team will come up with solutions based on the requirements of your drug discovery related project, follow up the experimental process and help you analyze the data.

Supported by dozens of scientists with extensive experience in NMR spectroscopy, Creative Biostructure provides global customers with drug discovery and preclinical research needs with NMR-based pharmacometabonomics service, which is an unbiased and efficient approach for rapid metabolism, and selection of animal models, as well as evaluation of lead drug candidates.


  1. Zhang L.; et al. NMR-based metabolomics and its application in drug metabolism and cancer research. Current Pharmacology Reports. 2016, 2(5): 231-240.
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