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

Sefa CELIK, Serda KECEL GUNDUZ
540 116

Öz


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.

Anahtar kelimeler


Cyclic dipeptides; Conformational analysis; DFT

Tam metin:

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DOI: http://dx.doi.org/10.19113/sdufbed.12478

Referanslar


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