Metabonomics in Drug Metabolism and Plant Medicine – University of Copenhagen


Metabonomics in Drug Metabolism and Plant Medicine

Metabonomics studies in a Drug metabolism context are carried out. Specifically, current and future focus is on integrating metabonomics studies with pharmacokinetic and pharmacodynamics studies. Locust are used as a model system (see Link).
Previous studies studies have focused on small clinical studies.

Figure 1. Data from small clinical study study (see further reading).

Metabonomics in plant medicine is currently focus on profiling Cinchona species as a subproject under Cinchona Bark - A Study in Alkaloids and The Quest for Cinchona – A Phylogenetic Tale (PI Nina Rønsted, Natural History Museum of Denmark)

Instrumentation/analytical methods. NMR spectra are acquired at the Dedicated metabolomics and HPLC-SPE-NMR instrument at the Copenhagen Small-Molecule NMR Centre.

MS spectra are obtained at the LC-MS instruments of the Drug Metabolism group at the department of Pharmacy (e.g. the Thermo Exactive Orbitrap instrument).

Data are pre-processed in Matlab and further analysed either in Matlab, SIMCA or Unscrambler as appropriate. Method development is focused on optimizing sample preparation and pre-processing of experimental data.

Figure 2. Data from methodological study (see further reading).
(A) PCA score plot for urine stability during storage for 26 weeks (R² = 0.98, Q² = 0.97). Codes:  The first numeral designates donor (1−4), the middle letter designates storage conditions (A, B, and C, storage at 4, −25, and −80 °C, respectively; D, freeze-drying, storage at −80 °C, and reconstitution with D2O), and the third numeral designates preservatives (1, no preservative; 2, NaN3; 3, NaF).

(B) PCA score plot (donor 1) showing typical effects of preservation (R² = 1.00 Q² = 0.99). Codes as in (A). In addition, the last one or two numerals designates sampling time (0, 1, 2, 3, 4, 6, 10, 14, or 26 weeks, respectively).