535-0023-00L Computer-Assisted Drug Design (Practical Course)
|Semester||Autumn Semester 2018|
|Lecturers||G. Schneider, J. A. Hiss|
|Periodicity||yearly recurring course|
|Language of instruction||English|
|Comment||Limited number of participants.|
|Abstract||The 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.|
|Objective||Participants 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.|
|Content||The 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 notes||Detailed information will be handed out during the course.|
Schneider, G. and Baringhaus, K.-H. (2008) Molecular Design - Concepts and Applications. Wiley-VCH, Weinheim, New York.
|Prerequisites / Notice||The 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).