MEDC0077 Module 3: Cheminformatics and modelling for drug design

Module Structure: (15 credits each) • Lectures and Tutorials • Assessment: 50% coursework, 50% unseen examination.

Module Title	Module 3: Cheminformatics and modelling for drug design
Module Code	MEDC0077
Module Leader	Dr Edith Chan
Short description	Drugs are usually small chemicals or molecules. It is important to understand their chemical and physical properties and how these are related to the “druglikeness”. The principle and practise of molecular modelling will be taught. The concept of druglikeness will be explored. The introduction of Cheminformatics and its usefulness in drug discovery will be taught, as well as its basic concept and techniques of cheminformatics hat are the most important drug targets? The biology and pharmacology of the 5 major protein families will be exp
Module aims	Understand the concept of 'leads, hits and drugs' and the definition of good drugs (hits and leads). Learn concept and various methods to define drug likeness. Familiarise with commercial software to perform basic calculation of drug likeness. Be able to understand the concept of 'leads, hits and drugs' and the definition of good drugs (hits and leads). Be able to use various methods and parameters to define drug likeness. Familiarise with cheminformatics software
List of Lectures and Tutorials	Cheminformatics in drug discovery and techniques Concept of Drug likeness Molecular modeling QSAR Learn how to draw small molecules Learn how to calculate molecular properties Learn how to do basic molecular modeling
Module assessment	50% course work + 50% unseen 1 hour exam