- Differentiate between the discovery and optimization steps of the drug discovery pipeline and reproduce the key elements of each step
- Formulate the challenges and pitfalls in the lead discovery and lead optimization phase in case studies of contemporary drugs.
- Propose structure modification strategies to improve pharmacokinetic properties.
- Perform on a basic level a number of standard and advanced computational design tools such as applied molecular modeling, virtual screening, QSAR and structure-based drug design.
- Motivate the importance of physical chemical characteristics including small molecule-receptor interactions to binding efficacy based on given data sets and computational tools.
- Propose a strategy for lead optimization of a specific lead molecule based on rational design and computational tools.
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Medicinal chemistry is the scientific discipline entailing the design and synthesis of new therapeutic molecules or biomolecules and their development into clinical drug candidates. In order to successfully improve the drug-like properties of biologically active compounds, a key goal of medicinal chemistry research, it is important to gain insight in this process and understand how the various stages of this process are generally organized. This course will focus on the molecular aspects of the preclinical phase of drug development based on an in-depth analysis of historical drug-development cases. Participants will become acquainted with the lead discovery and lead optimization phases of receptor-, enzyme- and DNA-interactive drugs and apply this knowledge with computational tools used in drug-development. Invited lectures from industry will complement the contents of the course to give participants a comprehensive insight in contemporary drug development.
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Bachelor Chemistry, Bachelor Molecular Life Sciences or Bachelor Science, preferably including the elective course Pharmacochemistry (NWI-MOL053). The course Medicinal Chemistry (NWI-MOL421) is a mandatory course of the Master’s specialisation Medicinal Chemistry.
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Presentation (30%) and assignment (70%)
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Sources
The course is based on literature from the following sources:
- Book: Silverman, Richard B., Holladay, Mark W. The Organic Chemistry of Drug Design and Drug Action, 3rd ed.
- Book: Huang, X., Aslanian, Robert G., Case Studies in Modern Drug Discovery and Development
- Book: Di Li, Kerns, Edward H., Drug-Like Properties: Concepts, Structure Design, and Methods, 2nd ed.
Digital editions of the books are available at the Library of Science.
Molecular Operating Environment (MOE), www.chemcomp.com
This course is only open to students in the master specialisation Medicinal Chemistry
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