A Comparative Analysis of the Measured Thermodynamic Properties of Azithromycin, Bacitracin, and Levofloxacin with in Silico Methods

Abstract

Specific Aims: Primarily to identify the molecular and physicochemical properties, phase transition temperatures, correlated enthalpies, and confirmation of crystallinity and birefringence of azithromycin, bacitracin, and levofloxacin. Secondarily to highlight the importance of in-silico and in-vitro experiments in the drug discovery and development process. Methods: Molecular and physicochemical properties were obtained from molecular modeling software by using SwissADME®, ChemDraw19.1® and Chem3D 19.1®. Phase transition temperatures and correlated enthalpies were obtained by utilizing a technique known as Differential Scanning Calorimetry. The confirmation of crystallinity and birefringence of the three medications were completed via a technique known as Hot Stage Microscopy. Results: In silico experiments adequately predicted pharmacokinetic and pharmacodynamic parameters for the three antibiotics. DSC experiments confirmed the presence of phase transitions for all three antibiotics. HSM experiments confirmed the presence of crystallinity and birefringence for azithromycin and levofloxacin. Conclusions: The use of predictive molecular modeling software in conjunction with in-vitro thermal experiments remain important and critical experiments in the drug development and discovery process.