Sefa ÇELİK, Serda KECEL GUNDUZ

Cyclo(Tyr-Cys) ve Cyclo(Phe-Cys) Dipeptitlerinin Konformasyon Analizi

Bu çalışmada HT-29 ve MCF-7 hücrelerine karşı servikal kanser hücrelerinde önemli antikanser etki gösteren Cyclo(Tyr-Cys) ve Cyclo(Phe-Cys) dipeptitlerinin olası sekiz kararlı konformasyonu konformasyon analizine bağlı olarak elde edilmiştir. Olası kararlı geometriler φ, Ψ ana zincir ve χ yan zincir dihedral açılarının yardımıyla belirlenmiştir. Mevcut tüm konformerler ve onların enerjileri hesaplanmıştır ve kuantum kimyasal ab-inito sonuçlarla karşılaştırılmıştır. Sistein içeren dipeptitlerin Van der Waals, elektrostatik, torsiyonal, yan ve ana zincirleri arasındaki etkileşme enerjileri ve toplam enerjileri Fortran programı kullanılarak hesaplanmıştır.

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

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 χ chain dihedral angles. Available all conformers and their energies were calculated and made comparison with the quantum chemical abinitio 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.

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