From Synthesis and Spectral Analysis to Molecular Modeling – Multidimensional Teaching of Medicinal Chemistry: Aspirin as an Example

Abstract

Abstract: Classical medicinal chemistry classes do not give satisfactory learning outcomes. Computing and communication technology have a great impact on all aspects of cognition, education and training. Thus, the field of computer-assisted science teaching is particularly active nowadays. Many authors reported that involving computers in education process makes it more interesting, develops motivation of the students and helps to keep their attention during classes. Using computers for teaching science is more and more common on all the levels of education, from primary to tertiary. In particular, computer-assisted classes may be of valuable help for the pharmacy or chemistry students who learn organic or medicinal chemistry. Therefore, the main objective of this study was to design modern and interesting medical chemistry computer-assisted laboratory for students. The proposed laboratory is a hybrid of both classic (synthesis of aspirin, TLC analysis, 1H, 13C NMR and IR spectra) and new (molecular modeling) chemistry elements. We suggest a simple and safe method for the synthesis of aspirin and its analysis with spectroscopic methods. In addition, the laboratory includes the use of computational methods for the analysis of aspirin and its mechanism of action on the molecular level. These procedures are easy to use and can be easily carried out even by inexperienced students. Moreover, the proposed laboratory can be used as an example to create similar classes with the use of other drugs, it can be easily reproduced anywhere and does not require any special, expensive computer resources, being based on free and easy available software. Key words: Aspirin, Computer-Assisted Classes, Organic Chemistry, Molecular Modeling, Spectroscopic Method.