Determination of peptide conformation via vibrational coupling: Application to diastereoisomeric alanyl dipeptides

Biopolymers ◽  
1984 ◽  
Vol 23 (10) ◽  
pp. 1917-1930 ◽  
Author(s):  
Max Diem ◽  
M. Reza Oboodi ◽  
Carlos Alva
1998 ◽  
Vol 76 (2-3) ◽  
pp. 257-266 ◽  
Author(s):  
George Kotovych ◽  
John R Cann ◽  
John M Stewart ◽  
Hitoshi Yamamoto

Most physiological processes are regulated by peptides that perform their functions by interacting with specific receptors on cells. Specific conformations of the peptides are required for correct interactions to take place, and a knowledge of the biologically important conformation is vital for the understanding of biological function. Over the last few years extensive studies using nuclear magnetic resonance and circular dichroism have been carried out on bradykinin (Arg1-Pro2-Pro3-Gly4-Phe5-Ser6-Pro7-Phe8-Arg9) and its antagonists with the objective of developing new drugs to combat severe pathologies associated with its production. In the present review, these techniques for the determination of peptide conformation are reviewed and applied to the study of bradykinin and its antagonists. Modeling of these conformational data in the presence of the B2 receptor or an antibody allows the biologically active conformations to be deduced and these are presented in this review.Key words: bradykinin antagonists, conformational analysis, NMR, CD, B2 receptor binding.


2000 ◽  
Vol 122 (8) ◽  
pp. 1709-1716 ◽  
Author(s):  
Wendy J. Shaw ◽  
Joanna R. Long ◽  
John L. Dindot ◽  
Allison A. Campbell ◽  
Patrick S. Stayton ◽  
...  

2001 ◽  
Vol 48 (4) ◽  
pp. 1091-1099 ◽  
Author(s):  
A Bierzyński

In solution most of the peptides assume multiple flexible conformations. Determination of the dominant conformers and evaluation of their populations is the aim of peptide conformation studies, in which theoretical and experimental methods play complementary roles. Molecular dynamics or Monte Carlo methods are quite effective in searching the conformational space accessible to a peptide but they are not able to estimate, precisely enough, the populations of various conformations. Therefore, they must be supplemented by experimental data. In this paper, a short review of the experimental methods, most widely used in peptide conformational studies, is presented. Among them NMR plays the leading role. Valuable information is also obtained from hydrogen exchange, fluorescence resonance energy transfer, and circular dichroism measurements. The advantages and shortcomings of these methods are discussed.


1969 ◽  
Vol 47 (8) ◽  
pp. 1361-1368 ◽  
Author(s):  
V. Seidl ◽  
Osvald Knop ◽  
Michael Falk

Infrared spectra of partially deuterated hydrates yield the fundamental frequencies of isotopically dilute H2O, D2O, and HDO molecules. Isotopic dilution eliminates vibrational coupling and allows the determination of the total number of crystallographically distinct water molecules in the crystal. It also yields the number of distinct symmetric (C2v) and asymmetric (Cs) water molecules. The results for gypsum show that all the water molecules are equivalent and that they are asymmetric, in agreement with crystallographic results. The extent of asymmetry is measured by the difference between the two OH stretching frequencies of HDO molecules, which is 90 cm−1. This corresponds to an estimated difference of 0.02 Å in the [Formula: see text] distances of the two hydrogen bonds. The spectra of partially deuterated gypsum show clearly that spectral features previously explained by the presence of two sets of distinct water molecules or by proton tunnelling, are in fact due to vibrational coupling.


1966 ◽  
Vol 25 ◽  
pp. 93-97
Author(s):  
Richard Woolley

It is now possible to determine proper motions of high-velocity objects in such a way as to obtain with some accuracy the velocity vector relevant to the Sun. If a potential field of the Galaxy is assumed, one can compute an actual orbit. A determination of the velocity of the globular clusterωCentauri has recently been completed at Greenwich, and it is found that the orbit is strongly retrograde in the Galaxy. Similar calculations may be made, though with less certainty, in the case of RR Lyrae variable stars.


1999 ◽  
Vol 190 ◽  
pp. 549-554
Author(s):  
Nino Panagia

Using the new reductions of the IUE light curves by Sonneborn et al. (1997) and an extensive set of HST images of SN 1987A we have repeated and improved Panagia et al. (1991) analysis to obtain a better determination of the distance to the supernova. In this way we have derived an absolute size of the ringRabs= (6.23 ± 0.08) x 1017cm and an angular sizeR″ = 808 ± 17 mas, which give a distance to the supernovad(SN1987A) = 51.4 ± 1.2 kpc and a distance modulusm–M(SN1987A) = 18.55 ± 0.05. Allowing for a displacement of SN 1987A position relative to the LMC center, the distance to the barycenter of the Large Magellanic Cloud is also estimated to bed(LMC) = 52.0±1.3 kpc, which corresponds to a distance modulus ofm–M(LMC) = 18.58±0.05.


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