BIOACTIVE PEPTIDES - SOLID-STATE, SOLUTION AND MOLECULAR-DYNAMICS STUDIES OF A CYCLOLINOPEPTIDE-A RELATED CYSTINYL CYCLOPENTAPEPTIDE(416 views visite) Rossi F, Saviano M, Di Blasio B, Zanotti G, Maione AM, Tancredi T, Pedone C
Keywords Parole chiave: Alcohol, Cyclolinopeptide A, Cyclopeptide, Cysteine, Disulfide, Pentapeptide, Solvent, Urethan, Article, Circular Dichroism, Crystal Structure, Hydrogen Bond, Infrared Spectroscopy, Molecular Dynamics, Nuclear Magnetic Resonance, Protein Conformation, Stereochemistry, Structure Activity Relation, X Ray Diffraction, Amino Acid Sequence, Molecular Sequence Data, Oligopeptides, Solutions, Support, Non-U.S. Gov, Thermodynamics, Non-U. S. Gov,
Affiliations Affiliazioni: CSB del CNR, CIRPEB, Universita di Napoli, via Mezzocannone 4, 80134 Napoli, Italy
References Riferimenti: Not available. Non disponibili.
BIOACTIVE PEPTIDES - SOLID-STATE, SOLUTION AND MOLECULAR-DYNAMICS STUDIES OF A CYCLOLINOPEPTIDE-A RELATED CYSTINYL CYCLOPENTAPEPTIDE
The conformational analysis of [GRAPHICS] the disulphide cyclopeptide-related cyclolinopeptide A, has been carried out by solid state methods using x-ray diffraction techniques, in solution by nmr, CD, ir spectroscopies, and by molecular dynamics (MD) analysis. The structure of the monoclinic form, obtained from ethanol (a = 11.303(2) Angstrom, b = 14.467(8) Angstrom, c = 12.355(2) Angstrom, beta(degrees) = 109.40(1), space group P2(1), Z = 2) presents two transannular H bonds with the formation of one type VIa beta-turn involving the C=O of the urethane moiety and the Phe(3) NH, and an intramolecular H bond between the C=O of urethane group and the Phe(4) NH. In the solid state all the peptide bonds are in the trans configuration with the exception of a cis peptide bond occurring between the Cys(1) and Pro(2) residues; the linkage S-S assumes right-handed chirality. The conformational study in solution by nmr spectroscopy indicates that the peptide is very flexible and that some conformer families are present at room temperature both in polar and apolar solvents. CD studies confirm that this cyclic system tends to give rise to a complex mixture of quasi-isoenergetic conformations, favored by the flexibility of the disulphide bridge and by the isomerism of the Xxx-Pro bond. MD studies carried out in vacuo and in solution shows that the structure determined by solid state represents a energy minimum. All hydrogen bonds found in the crystalline state are correctly reproduced in vacuo and in solution simulations. (C) 1994 John Wiley & Sons,Inc.
BIOACTIVE PEPTIDES - SOLID-STATE, SOLUTION AND MOLECULAR-DYNAMICS STUDIES OF A CYCLOLINOPEPTIDE-A RELATED CYSTINYL CYCLOPENTAPEPTIDE
Testino G, Leone S, Fagoonee S, Del Bas JM, Rodriguez B, Puiggros F, Marine S, Rodriguez MA, Morina D, Armengol L, Caimari A, Arola L, Cimini FA, Barchetta I, Carotti S, Bertoccini L, Baroni MG, Vespasiani-gentilucci U, Cavallo MG, Morini S, Nelson JE, Roth CL, Wilson LA, Yates KP, Aouizerat B, Morgan-stevenson V, Whalen E, Hoofnagle A, Mason M, Gersuk V, Yeh MM, Kowdley KV, Lee SM, Jun DW, Cho YK, Jang KS, Kucukazman M, Ata N, Dal K, Yeniova AO, Kefeli A, Basyigit S, Aktas B, Akin KO, Agladioglu K, Ure OS, Topal F, Nazligul Y, Beyan E, Ertugrul DT, Catena C, Cosma C, Camozzi V, Plebani M, Ermani M, Sechi LA, Fallo F, Goto Y, Ray MB, Mendenhall CL, French SW, Gartside PS Serum vitamin A deficiency and increased intrahepatic expression of cytokeratin antigen in alcoholic liver disease(467 visite) Hepatology (ISSN: 1827-1669electronic, 0026-4806linking), 1988 Sep; 83120693611123109(5): 1019-1026. Impact Factor:0.913 DettagliEsporta in BibTeXEsporta in EndNote
266 Records (259 escludendo Abstract e Conferenze). Impact factor totale: 980.405 (956.057 escludendo Abstract e Conferenze). Impact factor a 5 anni totale: 1006.421 (980.479 escludendo Abstract e Conferenze).
Last modified by Ultima modifica di Marco Comerci on in data Sunday 12 July 2020, 13:15:16 416 views visite. Last view on Ultima visita in data Sunday 28 March 2021, 3:21:26