Pharmazie

This is a compulsory elective module for the Master programs of the faculties of Chemistry and Mathematics & Informatics. It is taught every summer semester.

Content: Types of virtual drug libraries (fragment-based, reaction-based, etc.). Coding of chemical molecules and reactions. Molecule descriptors and their use for modeling structure-activity relationships (QSAR). Algorithms of ligand- and receptor-based virtual screening (machine learning methods, ligand docking, etc.). Importance and application of pharmacophore models in virtual screening. Modeling of receptor-ligand interactions (scoring functions, molecular dynamics simulations, etc.). Methods for antibody, biologics and peptide design. The content of the lectures is expanded by the seminar, in which current research work from computer-aided drug development is discussed, and by a 3-week practical course, in which practical skills with software-based methods for drug development will be learned.

 Lecturer: Prof. Jens Meiler, Dr. Georg Künze