Universität Wien
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270316 VO From Synthesis to the Science and Strategy of Medicinal Chemistry (2022W)

2.00 ECTS (1.00 SWS), SPL 27 - Chemie
Moodle

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Details

Language: English

Examination dates

Lecturers

Classes (iCal) - next class is marked with N

10.October, 14h-16h, HS3
11.October, 15h-17h, HS4
24.November, 14h-16h, HS3
30.November, 14h-16h, HS4

  • Monday 30.01. 13:00 - 17:00 Kleiner Hörsaal 3 Chemie Boltzmanngasse 1 HP

Information

Aims, contents and method of the course

The course aims to provide students with theoretical and practical medicinal chemistry background on the initial phase of small molecule drug discovery. At the completion of the course students will be able to critically analyze drug-target binding and design their own small molecule drug candidates. The course will cover the following topics:
1. Classes of small molecule drugs an introduction
2. Classes of drug targets an introduction
3. The thermodynamics of drug-target binding
4. The importance of water
5. Molecular interactions – up close & personal
6. Drug design strategies & medicinal chemistry rules of thumb
7. An introduction to finding hits in the vastness of chemical space
Further topics in medicinal chemistry that will not be covered in the course are (1) optimization of cellular and in vivo efficacy, (2) selectivity and toxicity, (3) drug distribution, metabolism and pharmacokinetics

Assessment and permitted materials

Working in small teams, students will be asked to critique a medicinal chemistry example from the literature and proposed improved molecules. The critique and design proposals will be commicated in the form of a short team presentation followed by discussion.

Minimum requirements and assessment criteria

Scale 1-5; participation in the final team presentation/exam is mandatory

Examination topics

1. The thermodynamics of drug-target binding
2. The importance of water
3. Molecular interactions
4. Drug design strategies & medicinal chemistry rules of thumb

Reading list

Hunter, Christopher A. "Quantifying intermolecular interactions: guidelines for the molecular recognition toolbox." Angewandte Chemie International Edition 43.40 (2004): 5310-5324.
Bissantz, Caterina, Bernd Kuhn, and Martin Stahl. "A medicinal chemist’s guide to molecular interactions." Journal of medicinal chemistry 53.14 (2010): 5061-5084
McConnell, Darryl B. "Biotin’s lessons in drug design." Journal of Medicinal Chemistry 64.22 (2021): 16319-16327.

Association in the course directory

CH-FE, BC-Wahl, Freie Wahlfächer und Transferable Skills, EF-1, EF-2, EF-3

Last modified: We 15.02.2023 12:09