894005 Computer-aided drug design and discovery of bioactive natural products

Lecture and exercise
Semester hours
Lecturer (assistant)
Istyastono, Enade
Offered in
Wintersemester 2022/23
Languages of instruction


The course will include lectures/tutorials designed to provide an introduction into theoretical aspects underlying modern drug discovery and design techniques. These will be combined with hands-on computer sessions designed to provide an introduction into the practical aspects of performing and analyzing the computer experiments. The course will also provide a productive environment for discussion with experts and fellow participants.

Previous knowledge expected

Basic knowledge about biomolecules is required

Objective (expected results of study and acquired competences)

Participants will gain knowledge about

1.Target selection and validation.
2.Natural products database compilation for structure-based virtual screening (SBVS).
3.Retrospective and prospective SBVS from the database.
4.Hits optimization by employing molecular dynamics simulations.
You can find more details like the schedule or information about exams on the course-page in BOKUonline.