Spatial Structure of the Casoxin C Molecule

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Abstract

A theoretical conformational analysis was performed to study the conformational possibilities for thecasoxin C molecule (Tyr1-Ile2-Pro3-Ile4-Gln5-Tyr6-Val7-Leu8-Ser9-Arg10-OH). The potential functionof the system is chosen as a sum of non-valence, electrostatic and torsion interactions and the energy of hydrogen bonds. The low-energy conformations of the casoxin C molecule were found, the values of dihedralangles of the main and side chains of the amino acid residues that make up the molecule were determined,and the energy of intra- and interresidual interactions was estimated. It has been shown that the spatial structure of the casoxin C molecule is represented by conformations of eight shapes of the peptide skeleton. Theresults obtained can be used to elucidate the structural and structural-functional organization of casoxin molecules.

About the authors

N. А Akhmedov

Institute for Physical Problems, Baku State University

Email: Namiq.49@bk.ru
ul. Z. Khalilova 23, Baku, AZ-1148, Azerbaijan

L. N Agaeva

Institute for Physical Problems, Baku State University

Email: email@example.com
ul. Z. Khalilova 23, Baku, AZ-1148, Azerbaijan

R. M Abbasli

Institute for Physical Problems, Baku State University

Email: email@example.com
ul. Z. Khalilova 23, Baku, AZ-1148, Azerbaijan

L. I Ismailova

Institute for Physical Problems, Baku State University

Email: email@example.com
ul. Z. Khalilova 23, Baku, AZ-1148, Azerbaijan

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