Structure-based drug design took nearly two decades of multiple, parallel technological improvements to arrive at its current mainstream position in medicinal chemistry. Developments in computer graphics, high-power radiation sources, computational processing power, refinement protocols, virtual screening and crystallography were all necessary to create the environment for rapid, iterative structure-based drug discovery. Given the crisis facing the pharmaceutical industry in the translation of early stage drug discovery results, a different set of tools, concerned with algorithms and methods for developing best in class drugs that engage biological targets with kinetically optimized potency and selectivity will need to be refined. In this conference, we bring to focus recent advancements in this field from an experienced faculty:
Keynote Address:

Binding Kinetics in Drug Discovery
David Swinney, Ph.D., CEO, Institute for Rare and Neglected Diseases Drug Discovery (iRND3)
Dr. Swinney has devoted the majority of his career to the identification of effective mechanisms of drug action, promising leads and clinical candidates to address unmet medical needs. He has also developed an expertise in the understanding and application of binding kinetics to drug discovery. Dr. Swinney has a PhD in medicinal chemistry from the University of Washington, Seattle, over 20 years of industrial experience (Roche, Syntex) and is currently CEO and co-founder of the non-profit, Institute for Rare and Neglected Diseases Drug Discovery (iRND3, www.irnd3.org).
Themed Sessions:
- Structure to Function
- Free Energy Calculation and Molecular Dynamics Simulation
- GPCR
- Fragment-Based Design
- Druggability and Kinetics-Based Drug Design
- Trends and Advances
Dinner Short Course:
First Principles in Binding Kinetics: Towards Predicting Structure-Kinetics Relationships
- June 6, 2012
Instructors:
David Swinney, Ph.D., CEO, Institute for Rare and Neglected Diseases Drug Discovery (iRND3)
Xavier Barril, Ph.D., ICREA Research Professor, Physical Chemistry Department, University of Barcelona
This course will address the questions on “why should I care about kinetics?” and “how can I understand and predict Structure-Kinetics relationships?” We will first review the role of binding kinetics in drug action and then focus on the particular case of protein-ligand non-covalent complexes, reviewing what is known so far about the structural determinants of binding kinetics. This course will help you with a better understanding and increased awareness of current state of the chemistry and pharmacology of binding kinetics.
*Separate registration is required to attend the dinner short course.