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

Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi

Serda KECEL GUNDUZ¹  Sefa CELIK¹ 

[1] İstanbul Üniversitesi;

关键词: Cyclic dipeptides;    Conformational analysis;    DFT;   

DOI  :  10.19113/sdufbed.12478

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown