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Quantum-Chemical Description of Influence of the R-Groups on Formation of Peptide Bond

DOI: 10.4236/cmb.2014.42004, PP. 35-38

Keywords: Amino Acids Sequence, Peptide Bond, DFT Calculations

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Abstract:

The description of influence of the R-groups on formation of the peptide bond by quantum-chemical method of density functional theory (DFT) is carried out. The criterion of probability of formation of the peptide bond has been constructed. In particular it is shown that the propensity to formation of the peptide bond is increased as a result of 1) decrease of the CO and NH bond orders (PCO and PNH) and of activation energy (ΔE#), 2) increase of OH and CN bond orders (POH and PCN), 3) exothermic property of this reaction (ΔE < 0).

References

[1]  Sanger, F. (1952) The Arrangement of Amino Acids in Proteins. Advances in Protein Chemistry, 7, 1-67.
http://dx.doi.org/10.1016/S0065-3233(08)60017-0
[2]  Ganong, W.F. (Editor) (1989) Review of Medical Physiology Fourteenth Edition. Appleton & Lange, Publishers.
[3]  Sanger, F. and Thompson, E.O.P. (1953) The Amino-Acid Sequence in the Glycyl Chain of Insulin. I. The Identification of Lower Peptides from Partial Hydrolysates. Biochemical Journal, 53, 353-366.
[4]  Sanger, F. and Thompson, E.O.P. (1953) The Amino-Acid Sequence in the Glycyl Chain of Insulin. II. The Investigation of Peptides from Enzymic Hydrolysates. Biochemical Journal, 53, 366-374.
[5]  Sanger, F. and Thompson, E.O.P. (1952) The Inversion of a Dipeptide Sequence during Hydrolysis in Dilute acid. Biochimica et Biophysica Acta, 9, 225-226.
[6]  Sanger, F. and Tuppy, H. (1951) The Amino-Acid Sequence in the Phenylalanyl Chain of Insulin. The Investigation of Peptides from Enzymic Hydrolysates. Biochemical Journal, 49, 481-490.
[7]  Kohn, W., A.D., Becke, A.D. and Parr, R.D. (1996) Density Functional Theory of Electronic Structure. The Journal of Physical Chemistry, 100, 12974-12980. http://dx.doi.org/10.1021/jp960669l
[8]  Trobro, S. and Aqvist, J. (2005) Mechanism of Peptide Bond Synthesis on the Ribosome. Proceedings of the National Academy of Sciences of the United States of America, 102, 12395-12400.
http://dx.doi.org/10.1073/pnas.0504043102
[9]  Becke, A.D. (1988) Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior. Physical Review A, 38, 3098-3100. http://dx.doi.org/10.1103/PhysRevA.38.3098
[10]  Lee, C., Wang, W. and Parr, R.G. (1988) Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density. Physical Review B, 37, 785-789.
http://dx.doi.org/10.1103/PhysRevB.37.785
[11]  Perdew, J.P. and Wang, Y. (1992) Accurate and Simple Analytic Representation of the Electron-Gas Correlation Energy. Physical Review B, 45, 13244-13249. http://dx.doi.org/10.1103/PhysRevB.45.13244
[12]  Laikov, D.N. and Ustynyuk, Yu.A. (2005) PRIPODA-04: A Qiantem-Chemical Program Suite. New Possibilities in the Study of Molecular Systems with the Application Parallel Computing. Russ. Chem. Bull., Int. Ed., 54, 820-826.
[13]  Ganong, W. (1989) Review of Medical Physiology 1989, and Canine and Feline Endocrinology and Reproduction.

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