Pharmacology-based Structure-Activity Relationships for Medicinal Chemists

Because drugs interact with ongoing physiology in the body, activity can be difficult to predict in therapeutic situations from single estimates of activity in test systems. The main (50%) reason for new drug candidate failure is lack of efficacy. The premise of this course is that pharmacology can now be used to yield more detailed and accurate profiles of drug efficacy that can be used to link activity in the clinic and also provide a better roadmap for follow-up candidates should molecules fail in the clinic.

• Four main predictive drug properties: affinity, efficacies, allosteric vs orthosteric target engagement, offset rate to predict target coverage in vivo
• Target activity: enzymes, receptors (agonism, antagonism), protein-protein interactions (allosteric effects), allosteric modulators as drugs
• Prediction of drug activity under varying physiological conditions in vivo
• Measurement of target-ligand kinetics to predict in vivo target coverage

Medicinal and synthetic organic chemists, biologists involved in drug development, any scientist involved in process of drug discovery, production and approval.