Study of angiotensin-(1-7) vasoactive peptide and its β-cyclodextrin inclusion complexes: Complete sequence-specific NMR assignments and structural studies

Ivana Lula, Ângelo L. Denadai, Jarbas M. Resende, Frederico B. de Sousa, Guilherme F. de Lima, Dorila Pilo-Veloso, Thomas Heine, Hélio A. Duarte, Robson A.S. Santos, Rubén D. Sinisterra

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Abstract

We report the complete sequence-specific hydrogen NMR assignments of vasoactive peptide angiotensin-(1-7) (Ang-(1-7)). Assignments of the majority of the resonances were accomplished by COSY, TOCSY, and ROESY peak coordinates at 400 MHz and 600 MHz. Long-side-chain amino acid spin system identification was facilitated by long-range coherence transfer experiments (TOCSY). Problems with overlapped resonance signals were solved by analysis of heteronuclear 2D experiments (HSQC and HMBC). Nuclear Overhauser effects (NOE) results were used to probe peptide conformation. We show that the inclusion of the angiotensin-(1-7) tyrosine residue is favored in inclusion complexes with β-cyclodextrin. QM/MM simulations at the DFTB/UFF level confirm the experimental NMR findings and provide detailed structural information on these compounds in aqueous solution.

Original languageEnglish
Pages (from-to)2199-2210
Number of pages12
JournalPeptides
Volume28
Issue number11
DOIs
Publication statusPublished - 2007 Nov

All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Physiology
  • Endocrinology
  • Cellular and Molecular Neuroscience

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    Lula, I., Denadai, Â. L., Resende, J. M., de Sousa, F. B., de Lima, G. F., Pilo-Veloso, D., Heine, T., Duarte, H. A., Santos, R. A. S., & Sinisterra, R. D. (2007). Study of angiotensin-(1-7) vasoactive peptide and its β-cyclodextrin inclusion complexes: Complete sequence-specific NMR assignments and structural studies. Peptides, 28(11), 2199-2210. https://doi.org/10.1016/j.peptides.2007.08.011