Abstract
Background: The Attenuated Total Reflection (ATR) technique of spectroscopy in combination using the terahertz technique is being investigated to find rotatable bonds, which are considered as one of the rules of thumb given by Veber et al.. Results: Histidine, as one of the most studied pharmacological preparations, is used in an experiment to test our research. Three rotatable bonds have been found and thus the results published in pharmaceutical data guides have been confirmed. Conclusion: The results are obtained in a terahertz spectrometer equipped with a Dove prism, where an ATR technique is applied. The samples in two forms, polycrystalline and as a solution in alcohol, are used to check the methodology. Histidine molecules, dissolved in alcohol and thus freed from intermolecular bonds, exposed the rotations around the three bonds. Thus, the validity of the ATR-THz research methodology used in the search for rotating bonds in drug candidates molecules is confirmed. The goal of the method presented in the paper is to support pharmacological research, and pharmaceutical industry, as well.
Polarization selective Dove prism
