| Course title | Rational Drug Design |
|---|---|
| Course code | KFC/PGDD |
| Organizational form of instruction | Lecture |
| Level of course | Doctoral |
| Year of study | not specified |
| Semester | Winter and summer |
| Number of ECTS credits | 5 |
| Language of instruction | Czech, English |
| Status of course | Compulsory-optional |
| Form of instruction | Face-to-face |
| Work placements | This is not an internship |
| Recommended optional programme components | None |
| Lecturer(s) |
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| Course content |
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1. Introduction - goal, chemical space of drugs 2. Discovering new biologically active substances - sources of treatment, testing, databases 3. Pharmacological and physico-chemical properties of substances 4. Pharmacological goals and structure of biomolecules 5. Ligand-based methods: QSAR, machine learning, search for similarities and pharmacophores 6. Methods based on target structures: Docking, molecular mechanics and dynamics 7. Methods for calculation of free binding energy, IC50 and inhibition constants 8. Development and future of pharmaceutical industry
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| Learning activities and teaching methods |
| unspecified |
| Learning outcomes |
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The aim of the course is to extend the overview and practical skills with regard to the use of computational methods used in modern drug design. Drug design is the search for new drugs by knowing the biological target using a variety of most commonly used computational techniques to assist in the selection of biological testing agents.
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| Prerequisites |
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unspecified
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| Assessment methods and criteria |
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unspecified
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| Recommended literature |
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| Study plans that include the course |
| Faculty | Study plan (Version) | Category of Branch/Specialization | Recommended semester | |
|---|---|---|---|---|
| Faculty: Faculty of Science | Study plan (Version): Physical Chemistry (2021) | Category: Chemistry courses | - | Recommended year of study:-, Recommended semester: - |
| Faculty: Faculty of Science | Study plan (Version): Physical Chemistry (2021) | Category: Chemistry courses | - | Recommended year of study:-, Recommended semester: - |
| Faculty: Faculty of Science | Study plan (Version): Physical Chemistry (2021) | Category: Chemistry courses | - | Recommended year of study:-, Recommended semester: - |
| Faculty: Faculty of Science | Study plan (Version): Physical Chemistry (2021) | Category: Chemistry courses | - | Recommended year of study:-, Recommended semester: - |