- Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi
- Vol: 21 Issue: 2
- Conformational Analysis of Cyclo(Tyr-Cys) and Cyclo(Phe-Cys) Dipeptides
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 : 9 | Download : 10
Publication Date : 2017-04-10
Article Type : Other
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