scholarly journals STUDY OF STABLE STRUCTURES OF THE PENTAPEPTIDE MOLECULE

2021 ◽  
Vol 6 (2(52)) ◽  
pp. 5-9
Author(s):  
Lala Sabir Gadzhiyeva ◽  
Gyul’tekin Dzhumzhud Abbasova ◽  
Gyunel’ Rovshan Safarli
Keyword(s):  
Conformational Analysis ◽  
Antitumor Effect ◽  
Geometric Parameters ◽  
Low Energy ◽  
Theoretical Conformational Analysis ◽  
Conformational States ◽  
New Drug ◽  
Stable Structures

Low-energy conformational states of the CREKA molecule, a new drug with an antitumor effect, have been studied by the method of theoretical conformational analysis. Geometric parameters and energy contributions of various types of interatomic interactions to the stabilization of the calculated structures have been established.

STUDY OF THE SPATIAL STRUCTURE OF THE MOLECULE CYS-ARG-GLU-LYS-ALA

2020 ◽  
Author(s):  
G.Dzh. Abbasova ◽  
L.S. Gadzhieva
Keyword(s):  
Spatial Structure ◽  
Conformational Analysis ◽  
Low Energy ◽  
Geometrical Parameters ◽  
Theoretical Conformational Analysis ◽  
Conformational States ◽  
Different Types

Low-energy conformational states of the CREKA molecule, new anti-tumors drug were established by the method of theoretical conformational analysis. Geometrical parameters and different types energy contributions stabilized calculated structures were determined

NMR and conformational study of branched oligosaccharides containing 2,3-disubstituted residues of α-L-rhamnose

1990 ◽  
Vol 68 (7) ◽  
pp. 1238-1250 ◽  
Author(s):  
Grigory M. Lipkind ◽  
Nikolay E. Nifant'ev ◽  
Alexander S. Shashkov ◽  
Nikolay K. Kochetkov
Keyword(s):  
Experimental Data ◽  
Conformational Analysis ◽  
Nmr Spectra ◽  
Conformational Study ◽  
Theoretical Conformational Analysis ◽  
Conformational States ◽  
Nuclear Overhauser ◽  
C Nmr

1H and 13C NMR spectra have been recorded and the nuclear Overhauser enhancements (in D2O), after pre-irradiation of the anomeric protons, have been measured for tri- and tetrasaccharides containing 2,3-disubstituted residues of α-L-rhamnose and the corresponding disaccharides. The proximity of the conformational states of the disaccharide units in these branched oligosaccharides and in the corresponding disaccharides has been shown, on the basis of both the nOe experimental data and theoretical conformational analysis. This conclusion is also confirmed by data for glycosylation effects in the 13C NMR spectra of the oligosaccharides. Keywords: branched oligosaccharides, 1H and 13C NMR spectra, conformations.

Theoretical conformational analysis of N-acetyl-L-leucine methylamide

1975 ◽  
Vol 11 (2) ◽  
pp. 217-222
Author(s):  
I. S. Maksumov ◽  
S. F. Arkhipova ◽  
G. M. Lipkind ◽  
E. M. Popov
Keyword(s):  
Conformational Analysis ◽  
Theoretical Conformational Analysis

Spatial Structure of the Acth-(6-9)-PGP Molecule

2021 ◽  
Vol 43 (5) ◽  
pp. 500-500
Author(s):  
Namiq Akhmedov Namiq Akhmedov ◽  
Leyla Agayeva Leyla Agayeva ◽  
Gulnara Akverdieva Gulnara Akverdieva ◽  
Rena Abbasli and Larisa Ismailova Rena Abbasli and Larisa Ismailova
Keyword(s):  
Amino Acid ◽  
Spatial Structure ◽  
Main Chain ◽  
Low Energy ◽  
Dihedral Angles ◽  
Amino Acid Residues ◽  
Analysis Method ◽  
Theoretical Conformational Analysis ◽  
Energy Of Hydrogen Bonds ◽  
Low Energy Conformations

The spatial structure of ACTH-(6-9)-PGP molecule has been investigated using theoretical conformational analysis method. Amino acid sequence of the N-terminal pentapeptide fragment of His-Phe-Arg-Trp-Pro of this molecule conforms to the fragment 6-9 of ACTH hormone. Calculations of conformational states of this molecule are carried out regarding nonvalent, electrostatic and torsional interactions and the energy of hydrogen bonds. The spatial structure of the His-Phe-Arg-Trp-Pro-Gly-Pro molecule was estimated on the low–energy conformations of the N-terminal tetrapeptide fragment His-Phe-Arg-Trp and C-terminal tripeptide fragment Pro-Gly-Pro of this molecule. It is shown that the spatial structure of heptapeptide molecule can be presented by 11 low-energy forms of the main chain. The low–energy conformations of this molecule, the values of dihedral angles of the backbone and side chains of the amino acid residues were founded and the energies of intra- and inter-residual interactions were determined.

Theoretical conformational analysis of lewis adducts

1972 ◽  
Vol 14 (3) ◽  
pp. 405-412 ◽  
Author(s):  
François Crasnier ◽  
Jean-François Labarre ◽  
Claude Leibovici
Keyword(s):  
Conformational Analysis ◽  
Theoretical Conformational Analysis
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