celik, sefa istanbul university - engineering faculty - electrical-electronics engineering department, İstanbul, Turkey , kecel gunduz, serda istanbul university - science faculty - physics department, İstanbul, turkey

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

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In this study, eight possible stable conformers of the Cyclo(Tyr-Cys) andCyclo(Phe-Cys) dipeptides, which show the most significant inhibition in cervicalcarcinoma cells opposite to HT-29 and MCF-7 cells, performed depending on theobtained conformational analysis. The possible stable geometries were determinedwith the aid of φ, Ψ backbone and χ chain dihedral angles. Available all conformers andtheir energies were calculated and made comparison with the quantum chemical abinitioresults. The Van der Waals, electrostatic , torsional , interaction energies betweenside and main chains of aminoacids and total energies of cysteine containing dipeptideswere computed by using Fortran program.

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Cyclic dipeptides , Conformational analysis , DFT

Journal Of Natural an‎d Applied Sciences

310