Conformational Analysis of Cyclo(Tyr-Cys) and Cyclo(Phe-Cys) Dipeptides

Year 2017, Volume: 21 Issue: 2, 306 - 310, 11.05.2017

Sefa Celık , Serda Kecel Gunduz

https://doi.org/10.19113/sdufbed.12478

Cited By: 2

Abstract

In this study, eight possible stable conformers of the Cyclo(Tyr-Cys) and Cyclo(Phe-Cys) dipeptides, which show the most significant inhibition in cervical carcinoma cells opposite to HT-29 and MCF-7 cells, performed depending on the obtained conformational analysis. The possible stable geometries were determined with the aid of φ, Ψ backbone and c chain dihedral angles. Available all conformers and their energies were calculated and made comparison with the quantum chemical ab-initio results. The Van der Waals, electrostatic , torsional , interaction energies between side and main chains of aminoacids and total energies of cysteine containing dipeptides were computed by using Fortran program.

Keywords

Cyclic dipeptides, Conformational analysis; DFT

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