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

doi:10.1016/j.peptides.2007.08.011

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

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

43 Citations (Scopus)

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 language	English
Pages (from-to)	2199-2210
Number of pages	12
Journal	Peptides
Volume	28
Issue number	11
DOIs	https://doi.org/10.1016/j.peptides.2007.08.011
Publication status	Published - 2007 Nov

Bibliographical note

Funding Information:
This work was supported by the Brazilian research agencies Conselho Nacional para o Desenvolvimento Científico e Tecnológico (CNPq), Fundação de Amparo à Pesquisa do Estado de Minas Gerais (FAPEMIG), and PRONEX-FAPEMIG (EDT 2403/03).

All Science Journal Classification (ASJC) codes

Biochemistry
Physiology
Endocrinology
Cellular and Molecular Neuroscience

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10.1016/j.peptides.2007.08.011

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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

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

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.",

author = "Ivana Lula and Denadai, {{\^A}ngelo L.} and Resende, {Jarbas M.} and {de Sousa}, {Frederico B.} and {de Lima}, {Guilherme F.} and Dorila Pilo-Veloso and Thomas Heine and Duarte, {H{\'e}lio A.} and Santos, {Robson A.S.} and Sinisterra, {Rub{\'e}n D.}",

note = "Funding Information: This work was supported by the Brazilian research agencies Conselho Nacional para o Desenvolvimento Cient{\'i}fico e Tecnol{\'o}gico (CNPq), Funda{\c c}{\~a}o de Amparo {\`a} Pesquisa do Estado de Minas Gerais (FAPEMIG), and PRONEX-FAPEMIG (EDT 2403/03). ",

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Lula, I, Denadai, ÂL, Resende, JM, de Sousa, FB, de Lima, GF, Pilo-Veloso, D, Heine, T, Duarte, HA, Santos, RAS & Sinisterra, RD 2007, 'Study of angiotensin-(1-7) vasoactive peptide and its β-cyclodextrin inclusion complexes: Complete sequence-specific NMR assignments and structural studies', Peptides, vol. 28, no. 11, pp. 2199-2210. https://doi.org/10.1016/j.peptides.2007.08.011

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AU - Denadai, Ângelo L.

AU - Resende, Jarbas M.

AU - de Sousa, Frederico B.

AU - de Lima, Guilherme F.

AU - Pilo-Veloso, Dorila

AU - Heine, Thomas

AU - Duarte, Hélio A.

AU - Santos, Robson A.S.

AU - Sinisterra, Rubén D.

N1 - Funding Information: This work was supported by the Brazilian research agencies Conselho Nacional para o Desenvolvimento Científico e Tecnológico (CNPq), Fundação de Amparo à Pesquisa do Estado de Minas Gerais (FAPEMIG), and PRONEX-FAPEMIG (EDT 2403/03).

PY - 2007/11

Y1 - 2007/11

N2 - 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.

AB - 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.

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

Abstract

Bibliographical note

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