CH3716 – Quantitative Aspects of Medicinal Chemistry


Dr T. van Mourik*, Professor T. K. Smith and Professor P. A. Wright

(*Module Convenor)


The aim of the module is to cover some of the quantitative aspects of Medicinal Chemistry and drug design.  Initially some relevant fundamental thermodynamics will be discussed.  The thermodynamics of the drug receptor interactions will then be covered along with other aspects of pharmacology.  The pharmacokinetic phase of drug action will be described including the absorption, distribution, metabolism and elimination (ADME) of drugs.  The use of computational chemistry in the modern drug design process will then be discussed, covering force field calculations, molecular dynamics, molecular docking, QSAR (Quantitative Structure Activity Relationships) and pharmacophores.

Pharmacology and Pharmacokinetics – Professor T. K. Smith  

Thermodynamics in Medicinal Chemistry – Professor P. A. Wright  

Computational Chemistry for Medicinal Chemists – Dr T. van Mourik