Course: Rational Drug Design

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Course title Rational Drug Design
Course code KFC/PGSDD
Organizational form of instruction Lecture + Seminar
Level of course Doctoral
Year of study not specified
Semester Winter and summer
Number of ECTS credits 0
Language of instruction Czech, English
Status of course unspecified
Form of instruction Face-to-face
Work placements This is not an internship
Recommended optional programme components None
  • Polishchuk Pavlo, M.Sc., Ph.D.
  • Berka Karel, doc. RNDr. Ph.D.
Course content
Drug design is a rather new approach towards rational search for new bioactive compounds. It is consisted from whole range of computational methods, which can be used to pre-select potential compounds for biological screening. Course will be delivered in a series of lectures and also tutorials on 3D graphical machines to give students the possibility to try discussed methods on their own; 1. Introduction to rational drug design (ADMET) 2. Drug-likeness (QSAR) 3. Properties of molecular target (molecular modelling) 4. Structure-based drug design (docking) 5. Ligand-based drug design (pharmakophore) 6. Chemical compounds libraries (virtual screening) 7. Challenges in in silico drug

Learning activities and teaching methods
Monologic Lecture(Interpretation, Training), Training in job and motor Skils
  • Preparation for the Exam - 60 hours per semester
Learning outcomes
The students will acquire practical skills in in silico drug design.
To describe main methods used in drug design, to use methods on example.

Assessment methods and criteria
Oral exam, Seminar Work

Show ability to discuss drug design methodology.
Recommended literature
  • Alvarez, J. & Shoichet B. (Eds.). (2005). Virtual Screening in Drug Discovery. Taylor&Francis.
  • Leach AR. (2001). Molecular Modelling - Principles and Applications (2 edition). Pearson Education.
  • Young, D.C. (2009). Computational Drug Design. Wiley.
  • Young D.C. (2001). Computational Chemistry, a Practical Guide for Applying Techniques to Real World Problems. Wiley.

Study plans that include the course
Faculty Study plan (Version) Branch of study Category Recommended year of study Recommended semester