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

Authors : Sefa CELIK, Serda KECEL GUNDUZ

Pages : 306-310

Doi:10.19113/sdufbed.12478

View : 22 | Download : 11

Publication Date : 2017-05-11

Article Type : Research Paper

Abstract :In this study, eight possible stable conformers of the Cycloinsert ignore into journalissuearticles values(Tyr-Cys); and Cycloinsert ignore into journalissuearticles values(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