Spectroscopic investigations of the interaction of BSA and DNA with the anticancer drug, N-(6-ferrocenyl-2-naphthoyl) glycine alanine ethyl ester (FNGAEE)

摘要

Transition metal containing compounds, especially ferrocene derivative, attracted wide attention in cancer control, where much of the interest was centered on drug design in the pharmaceutical field. The various amino acid groups, attached to the sandwich structure of ferrocene, has been found to play a key role in the biological activity of such compounds. To investigate the amide and ester resonance and the inductive effect, which takes decisive role in DNA and protein binding, vibrational spectral analysis supported by geometric optimization and NBO charge analysis has been carried out for the compound N-(6-Ferrocenyl-2-Naphthoyl) Glycine Alanine Ethyl Ester (FNGAEE). To exploit the changes in the microenvironment of DNA and BSA, experimental UV-Visible as well as fluorescence spectral assays have been conducted. The molecular docking simulation added to this study gives further insight to the bonding mechanism of macromolecular binding.