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CEA CAPA Partner Institution:Vrije Universiteit Amsterdam
Location:Amsterdam, Netherlands
Primary Subject Area: Chemistry
Instruction in:English
Course Code:XB_0157
Transcript Source:Partner Institution
Course Details:Level 300
Recommended Semester Credits:3
Contact Hours:84
Prerequisites:Knowledge of basic Organic Chemistry
DESCRIPTION
You will get acquainted with computational techniques able to generate ideas for novel compounds, such as crystal structure analysis, building homology models, predicting binding poses of ligands via molecular docking, calculating binding free energy and affinity of ligands, de novo ligand generation, and pharmacophore modeling. You will learn the importance of synthetic feasibility as a key and integral part of the design process and of being able to define a synthetic pathway for the preparation of the designed compounds, because a design that cannot be synthesized is by definition a useless design. To this end, concepts covered include retrosynthesis and the incorporation of some selected moieties, such as heteroatoromatic scaffolds and known affinity-increasers. You will get immersed in a drug discovery case study in which you will design a potential drug and propose a feasible synthesis route for the molecule. You will be exposed to state-of-the-art software (MOE, Reaxys) to guide you through your own drug discovery project, which will result in an article report describing the research you performed. You will get acquainted with key aspects of small-molecule