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

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.