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Lecturer(s)
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Course content
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The students are expected to have general knowledge of organic and bioorganic chemistry and basic knowledge of work with computers. 1. History of the drug design and the basic decisions in drug design project. 2. Target identification and validation. 3. Methods for hit compound identification - screening, virtual screening and others. 4. Ligand optimization. 5. Ligand-based drug design. Methodologies of structure activity relationship. Bioisosteres and other approaches. 6. Structure-based drug design. Molecular visualization, docking and scoring. 7. Pharmacokinetics. Metabolite prediction and identification. Methods of stability enhancement in body fluids. 8. Initial animal toxicology and safety assessment. 9. Prodrug approaches.
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Learning activities and teaching methods
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Dialogic Lecture (Discussion, Dialog, Brainstorming), Work with Text (with Book, Textbook)
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Learning outcomes
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The main aim of the lecture series will be to inform students about basic principles of drug design. The major effort will be given to summarization of basic knowledge of ligand-based drug discovery as well as structure-based approaches and use of modern information technologies in this process. Chemical modifications leading to enhancement of activity and modification of pharmacokinetic profile of potential therapeutics will be discussed as well.
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Prerequisites
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unspecified
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Assessment methods and criteria
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Oral exam
The candidate is expected to conduct scientific discussion in broader context of the whole discipline.
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Recommended literature
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Patrick, G. L. (2009). An Introduction to Medicinal Chemistry, 4th ed.. Oxford University Press, Oxford, New York.
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Silverman, R.S.; Holladay, M.W. (2014). The Organic Chemistry of Drug Design and Drug Action, 3nd ed.. Elsevier Science.
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Wermuth, C. G. (2015). The Practice of Medicinal Chemistry, 4th ed.. Elsevier Science.
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