Structural and mode of action studies on bio-active molecules |
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Authors: | Dudley H Williams |
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Institution: | (1) University Chemical Laboratory, Lensfield Road, CB2 1EW Cambridge, England |
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Abstract: | The technique of nuclear Overhauser effect difference spectroscopy allows the determination, from1H nuclear magnetic resonance spectra, of those protons in a structure which are near in space to a selected, irradiated proton.
The experiment is extremely powerful in the determination of structure in solution, and is sufficiently precise often to give
stereochemical detail. The method was used in determination of the structures of the antibiotics of the teicoplanin complex
(members of the vancomycin group), and the principles are briefly illustrated. Additionally, nuclear magnetic resonance pulse
sequences can be used to edit13C spectra (separate the spectrum into four spectra, containing C, CH, CH2, and CH3 carbons), and this technique also aided the structure elucidation of the teicoplanin complex. Finally, it is emphasised that
nuclear Overhauser effect difference spectroscopy can be used to determine the molecular details of drug binding sites, and
an example is given. |
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Keywords: | Nuclear Overhauser effect actinomycin D NMR spectra of oligonucleotides teicoplanin antibiotics DEPT edited13C spectra |
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