Tuesday April 22, 3:30 - 6:30pm
SC6: Molecular Interactions and Drug Design*
Instructor: Maricel Torrent, Ph.D., Senior Scientist, AbbVie
This course provides an overview of protein-ligand interactions and drug design principles. The presentation is targeted to medicinal chemists. Part 1 covers hydrophobic, H-bonding and electrostatic interactions; Part 2 covers specialized topics such as conformation analysis, pi-stack, cation-pi, halogen bonding, protein-protein interface, and covalent inhibition. Med chem case studies are incorporated.
Topics to be covered:
- Drug design principles generally applicable to all medicinal chemistry programs
- Interpretation of atomic-level protein X-ray and modeled structures of binding modes
- Understanding the relative amounts of potency gain from different interactions
- Case studies illustrate all of the design strategies
Maricel Torrent, Ph.D., Senior Scientist, AbbVie
Maricel Torrent has over 10 years experience in drug discovery working as a Molecular Modeler in pharma at Merck and Abbott. Scientific contributions to 10 kinase research programs over the last decade. Over 40 research publications and five patent applications covering an array of kinase and non-kinase targets. Invited speaker at internal professional conferences. Expertise in computer-aided drug design and in cross-discipline communication. PhD in Computational Chemistry from University of Girona, Spain. Post-doctoral work in molecular modeling of enzymes and biomolecules at Emory University, Atlanta.
*Separate Registration Required