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Lecturer(s)
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Polishchuk Pavlo, M.Sc., Ph.D.
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Berka Karel, doc. RNDr. Ph.D.
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Course content
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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
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Learning activities and teaching methods
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Monologic Lecture(Interpretation, Training), Training in job and motor Skils
- Preparation for the Exam
- 60 hours per semester
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Learning outcomes
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The students will acquire practical skills in in silico drug design.
To describe main methods used in drug design, to use methods on example.
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Prerequisites
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unspecified
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Assessment methods and criteria
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Oral exam, Seminar Work
Show ability to discuss drug design methodology.
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Recommended literature
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Alvarez, J. & Shoichet B. (Eds.). (2005). Virtual Screening in Drug Discovery. Taylor&Francis.
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Leach AR. (2001). Molecular Modelling - Principles and Applications (2 edition). Pearson Education.
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Young, D.C. (2009). Computational Drug Design. Wiley.
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Young D.C. (2001). Computational Chemistry, a Practical Guide for Applying Techniques to Real World Problems. Wiley.
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