Kaiser, Markus; Milbradt, Alexander G.; Moroder, Luis:

Structure-based prediction of cyclization propensities of linear precursors

In: International Journal of Peptide Research and Therapeutics, Jg. 9 (2002) ; 2/3, S. 65-70
ISSN: 1573-3149
Zeitschriftenaufsatz / Fach: Biologie
Abstract:
Cyclization of a TMC-95A related tripeptide precursor with the preformed C6-indole/phenol junction was found
to produce exclusively the related dimer, whereas under identical conditions from the tripeptide precursor with the
built-in natural C7-oxindole/phenoljunction only the desired monomeric cyclic species was obtained. These experimental
results were fully consistent with structure-based computations of the cyclization propensities. However,
by extending these computations to the analogous complestatin molecule, a consistency was not observed, thus
confirming the severe limitations of such predicting procedures, even when applied to homologous systems.

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