The conformation of cyclo(-D-Pro-Ala4-) as a model for cyclic pentapeptides of the DL4 type |
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Authors: | Heller Markus Sukopp Martin Tsomaia Natia John Michael Mierke Dale F Reif Bernd Kessler Horst |
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Institution: | Department Chemie, Technische Universit?t München, Lichtenbergstrasse 4, 85747 Garching, Germany. |
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Abstract: | The conformation of the cyclic pentapeptide cyclo(-D-Pro-Ala(4)-) in solution and in the solid state was reinvestigated using modern NMR techniques. To allow unequivocal characterization of hydrogen bonds, relaxation behavior, and intramolecular distances, differently labeled isotopomers were synthesized. The NMR results, supported by extensive MD simulations, demonstrate unambiguously that the preferred conformation previously described by us, but recently questioned, is indeed correct. The validation of the conformational preferences of this cyclic peptide is important given that this system is a template for several bioactive compounds and for controlled "spatial screening" for the search of bioactive conformations. |
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