The strong propensity of 2-amino-2-methyl propanoic acid (Aib)-rich peptides to form stable helical structures is well documented. NMR analysis of the short peptide Z-(Aib)(5)-L-Leu(Aib)(2)-OMe indicates the presence of a well-characterized 3(10)-helix even in dimethylsulfoxide (DMSO), a solvent known to disrupt helical structures. The structure remains stable at least up to 348 K. Stereospecific assignment of the diastereotopic methyls of Aib was achieved, with the assumption of a specific helical screw sense. The methyl more eclipsed with respect to the CO vector resonates at a higher field in the carbon dimension. Molecular dynamics simulations successfully predict the (3)J(CHNH) coupling constant of Leu(6) and most of the H-bonding pattern. Discrepancies were found for Aib(3) and Aib(7) amide protons which can be explained by a higher sensitivity of the simulations to the helix fraying at the end of the peptide and by the presence of extended conformations for Leu6 during most of the simulations.
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UNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALYUNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALY
BAVOSO, A
BENEDETTI, E
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UNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALYUNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALY
BENEDETTI, E
DIBLASIO, B
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UNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALYUNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALY
DIBLASIO, B
PAVONE, V
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UNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALYUNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALY
PAVONE, V
PEDONE, C
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UNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALYUNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALY
PEDONE, C
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TONIOLO, C
BONORA, GM
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UNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALYUNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALY
BONORA, GM
FORMAGGIO, F
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UNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALYUNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALY
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UNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALYUNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALY
BAVOSO, A
BENEDETTI, E
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UNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALYUNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALY
BENEDETTI, E
DIBLASIO, B
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UNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALYUNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALY
DIBLASIO, B
PAVONE, V
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UNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALYUNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALY
PAVONE, V
PEDONE, C
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UNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALYUNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALY
PEDONE, C
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TONIOLO, C
BONORA, GM
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UNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALYUNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALY
BONORA, GM
FORMAGGIO, F
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h-index: 0
机构:
UNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALYUNIV PADUA,DEPT ORGAN CHEM,CARDIAC SURG,BIOPOLYMER RES CTR,I-35131 PADUA,ITALY