Energy studies of biomolecules

Abstract

In this work the interaction energies between the different types of bases of a single strand of DNA molecule are calculated. Using these original values of energies the harmonic behavior of a number of base patterns of DNA are studied. In view of the great interest aroused by the discovery ofth~e --- of-t-he-te-lo-me~re -~s-e-g--m" e~nt -of the DNA in the replication process and its -- -- --- possible link with the aging process, -w-e have in.-v-e-s~t.i-g-ated, with simple --" "- ,. ~'" models, the harmonic behavior of the telomeric pattern of bases as well as \ thethermodynamic respons~~ the bio~o_gic~lsy..s!em.With these;e~lts a conclusion on the probable role of the telomeric Rattern on aging has also \ been drawn. Here the calculated values of harmonic frequencies of the telomeric pattern of bases and of other possible patterns show that the telomeric pattern is associated with the highest vibrational frequency among all patterns of base combinations at the replication end of DNA. This seems to suggest that due to the existing telomeric pattern being '\ closest to the frequencies of the electromagnetic radiation coming from sunlight, resonance of the telomeric frequency with such radiation may be responsible for damage to the reproductive ability of the cells and consequent aging and other problems. On the other hand in the last part of this work we have calculated the thermal vibrational amplitudes of the telomeric pattern and other possible patterns which show that the amplitudes for the telomeric pattern is the least, and this suggests that the telomeric pattern is more mechanically and thermally stable than other possible patterns in the biological environment against damage from ordinary heat and mechanical effects.