Autumn Semester 2020 takes place in a mixed form of online and classroom teaching.
Please read the published information on the individual courses carefully.

535-0023-00L  Computer-Assisted Drug Design (Practical Course)

SemesterAutumn Semester 2019
LecturersG. Schneider, J. A. Hiss
Periodicityyearly recurring course
CourseDoes not take place this semester.
Language of instructionEnglish


AbstractThe practical course is open for master and graduate students to get an introduction into hands-on computer-assisted drug design. The class includes an introduction to computer-based screening of a virtual compound library, subsequent synthesis of candidate ligands, and biochemically testing for activity on pharmacologically important drug targets.
ObjectiveParticipants become familiar with state-of-the-art methodologies in a real-life computer-aided medicinal chemistry project. Participants work as small teams, perform literature research and discuss recent research findings. A seminar talk is to be given presenting the molecular design strategy chosen and the results obtained during the course.
ContentThe course offers the possibility for people with and without computational and or laboratory background to get an introduction into computer-assisted drug design, as well as practical training in a modern chemical laboratory. Using various software suites, the participants will computationally create and screen a virtual compound library for potential active small molecules. The process will involve an introduction to screening a virtual compound library, synthesizing candidate inhibitors, and biophysical testing against a pharmacologically important drug target.
Lecture notesDetailed information will be handed out during the course.
LiteratureTextbook:
Schneider, G. and Baringhaus, K.-H. (2008) Molecular Design - Concepts and Applications. Wiley-VCH, Weinheim, New York.
Prerequisites / NoticeThe class is organized as a two-week block course.
The number of participants is limited.

Kick-off meeting and confirmation of registration (Vorbesprechung und Platzvergabe): During the last lecture of the class "Computer-Assisted Drug Design" (535-0022-00)

Ideally, students interested in the course participated and successfully passed the lecture "Computer-Assisted Drug Design" (535-0022-00).