Drug Design and Development

Recommended Prerequisites

Knowledge acquired in 1st cycle courses in the areas of basic studies in pharmaceutical sciences, medicinal chemistry, biochemistry, pharmaceutical biomedicine, bio-analytical sciences, biomedical sciences and other courses considered adequate by the coordination of the master course.

Teaching Methods

Theoretical classes for course subjects presentation and discussion.
In the theoretical-practical classes, case studies will be presented and discussed.

Learning Outcomes

- To deliver advanced knowledge for drug discovery, design and development.
- To furnish the strategic approaches to discover new hits.
- To acquire concepts for a structure- activity relationships analysis (SAR) to develop lead molecules from hits.
- To develop computational techniques and molecular modeling for drug design.
- To use chemical modifications to modulate drug pharmacokinetic properties.
- To get critical scientific thinking on drug design and development.
- To develop the ability to integrate research teams involved in drug discovery and development.

Work Placement(s)

No

Syllabus

Lead discovery and design strategies. Hit to lead processes
1.strategies in the search for new lead compounds
2.Lead-likeness and drug-likeness
3.Computer –assisted drug design
Exploration of structure-activity relationships
1.Molecular variations in homologous series
2. Molecular variations based on isosteric replacements
3.Ring transformations
Substituents and functions. Qualitative SAR
1.Substituent groups
Spatial organization, receptor mapping and molecular modeling
1.Multi-target drugs.Strategies and challenges for MedChem
2.Structure based drug design
3.Pharmacophore based drug design
Chemical modifications influencing the pharmacokinetics
1.Physiological aspects determinig pharmacokinetic prroperties
2.Biotransformation reactions and their enzymes.

Head Lecturer(s)

Jorge António Ribeiro Salvador

Assessment Methods

Assessment
Exam: 100.0%

Bibliography

Drug Discovery: Practices, Processes and Perspectives, edited by Jie J L and Corey E J, Wiley-VCH, 2013
Abraham D J, Rotella DP, Medicinal Chemistry, Drug Discovery and Development, Wiley, 7th Ed., 2010
Wermuth C, The Practice of Medicinal Chemistry, Elsevier, 3rd Ed., 2008
Kerns E H, Di L, Drug-like Properties. Concepts Structure Deign and Methods, Elsevier, 2008
Molecular Drug Properties, edited by Mannhold R, Wiley-VCH, 2008.