Design and analytical chemistry of active compounds 0600-S1-ChK-W-PCAZA

The aim of the course is to familiarize the student with the basic knowledge of the symmetry of molecules. Students will also learn about the stages of the design of active substances. The classical approach based on the analysis of compound libraries, e.g. the FDA-approved Drug Library (FDA-approved drug library) and in vitro tests will be discussed. Students will also be introduced to the design of computer-aided active substances, which is based on the knowledge of the receptor structure or its 3D model and the structures of ligands bound in the active center of a given enzyme. Modern methods of studying the protein-ligand interaction (fluorescence spectroscopy, surface plasma resonance, microscale thermophoresis) will also be presented. The methods of obtaining recombinant proteins, the process of crystallization of proteins and protein-ligand complexes will be discussed. Techniques for obtaining 3D structures of low molecular weight compounds and biomacromolecules will also be presented. Students will also gain the ability to obtain data from structural databases. The principles of determining the qualitative composition will also be discussed and a detailed description of the methods enabling the determination of the concentration of pharmacological and biochemical analytes in samples of various origins will be presented. The knowledge obtained gradually in the field of analytical methods in connection with the knowledge about the physicochemical properties of individual classes of compounds will allow for the independent selection of an appropriate analytical procedure, which is to lead to a reliable and authoritative determination result. On the other hand, self-solving of problems encountered during the implementation of tasks allows for the estimation and validation of the error of determination made.