LC-NMR: a new tool to expedite the dereplication and identification of natural products |
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Authors: | S C Bobzin S Yang T P Kasten |
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Institution: | (1) Monsanto Nutrition and Consumer Products, Monsanto Company, St. Louis, MO 63167,;(2) Monsanto Analytical Sciences Center, Monsanto Company, St. Louis, MO 63167,;(3) Searle Discovery Research, Monsanto Company, St. Louis, MO 63167 , |
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Abstract: | The rapid identification of known or undesirable compounds from natural products extracts — “dereplication” — is an important
step in an efficiently run natural products discovery program. Dereplication strategies use analytical techniques and database
searching to determine the identity of an active compound at the earliest possible stage in the discovery process. In the
past few years, advances in technology have allowed the development of tandem analytical techniques such as liquid chromatography
mass spectrometry (LC-MS), LC-MS-MS, liquid chromatography nuclear magnetic resonance (LC-NMR), and LC-NMR-MS. LC-NMR, despite
its lower sensitivity as compared to LC-MS, provides a powerful tool for rapid identification of known compounds and identification
of structure classes of novel compounds. LC-NMR is especially useful in instances where the data from LC-MS are incomplete
or do not allow confident identification of the active component of a sample. LC-NMR has been used to identify the marine
alkaloid aaptamine as the active component in an extract of the sponge Aaptos sp. This extract had been identified as an enzyme inhibitor by a high throughput screening (HTS) effort. Isolated aaptamine
exhibited an IC50=120 μM against this enzyme. Strategies for the identification of aaptamine and for the use of LC-NMR in a natural products
HTS program are discussed. Journal of Industrial Microbiology & Biotechnology (2000) 25, 342–345.
Received 30 March 2000/ Accepted in revised form 03 July 2000 |
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Keywords: | : natural products dereplication LC-NMR aaptamine |
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