Targeted Therapeutics & Theranostics
Drug Design
Module Title: Rational Drug design, combinatorial chemistry and molecular modelling
Module Code: CS 508
School: School of Chemical Sciences, Biotechnology and UCD partners
Module Coordinators: Dr. John F. Gallagher & Dr. Ronan Murphy
Office No: X121
Level: 5
Credit Rating: 5
Pre-requisite(s): BSc. Hons (preferably at a higher level)
Co-requisite(s): None
Module Aims:
- To provide an overview of rational drug design and an understanding of the multi-step approach to the development of pharmaceutical drugs.
- To provide an basic understanding of the uses of molecular modeling in drug design.
- To present synthetic chemical methodologies in the development of a pharmaceutical drugs e.g. synthetic library design.
- To highlight the importance of the solid-state in drug development in Advanced Solid-state and Pharmaceutical Analysis lectures (including polymorphism).
- To present and understand the role of databases in drug development.
Learning Outcomes:
- An overview of rational drug design from chemistry to biology.
- An summary of the role of molecular modeling, virtual screening in drug design.
- A basic understanding of the importance of organic synthesis in molecular design.
- An introduction to solid-state chemistry and polymorphism (including legal issues).
- Understanding the importance of the timely design of molecular delivery systems within a preclinical timeframe.
- A review of several case studies with detailed reviews of chemical approaches to solving biological problems; crystal engineering in pharmaceutical crystals; structural databases to tie in directly with related training programmes.
Indicative Time Allowances:
Lectures: 16 Hours
Tutorials: 10 Hours
Seminars:
Independent Learning Time: 49 Hours
TOTAL: 75 Hours
Note: Assume that a module load represents approximately 75 hours work, which includes all teaching, in-course assignments, laboratory work or other specialised training and an estimated private learning time associated with the module. |
Indicative Syllabus
- Introduction to Rational drug design (synthesis and structural approaches).
- Introduction to Molecular modelling and molecular similarity analysis.
- Introduction to step-wise organic synthetic methodologies.
- Introduction to advanced solid-state and pharmaceutical chemistry.
- Case Studies in organic chemical synthesis, advanced solid-state chemistry including polymorphism and structural databases, knowledge-based cheminformatic approaches.
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Assessment: 100% continuous assessment
Only include components relevant to this module
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Assignment 1:
Assignment 2:
In-course test: |
25%
25%
50% |
Practical Ability:
Laboratory Write-up:
Oral Examination:End of module test: |
%
%
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Indicative Reading List: Essential:
- Drug Discovery Today (Reviews of Current Topics in Drug Discovery) Elsevier 2007.
- Chemical and Structural Approaches to Rational Drug Design (1995) CRC Press.
- Frontiers in crystal engineering (Tiekink, 2005), Wiley Interscience.
- Madsen: Textbook of Drug Design and Discovery (Taylor-Francis, 2002)
- Selected Advanced Case studies and Reviews (to be supplied).
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