Optimal Absorption, Distribution, Metabolism, Excretion, Toxicology, Affinity and Selectiviy properties are the most important prerequisites
for good pharmacokinetic and pharmacodynamic drug properties. How well do we understand and predict these parameters yet?
The idea ot this workshop is to bring about 80 experts in Drug Design together in order to discuss recent problems and approaches to
ADMET, Affinity & Selectivity description in a very informal atmosphere.
A potent and effective drug has to meet good pharmacokinetic and pharmacodynamic properties. It evolves
its pharmacological effect through strong and selective binding to a particular receptor. High affinity corresponds
to a strong negative Gibbs free energy of binding. The thermodynamic contributions to the Gibbs free energy of binding
are still poorly understood, however their knowledge is an essential prerequisite for a tailored rational lead optimization.
Selectivity is determined by tiny differences in the composition of protein binding sites. These differences have to be translated
in structural and energetic terms into conditions to be imposed on the ligand's skeleton.
Finally, the best binding ligand is only of use, if it arrives at its receptor. Appropriate absorption, distribution,
metabolism, excretion and toxicology properties are required.
How well do we yet understand these parameters and can we predict them?
The workshop is planned to give a state-of-the-art report on experimental and computational approaches
to determine and describe ADMET parameters, affinity and selectivity, in particular with respect to the design
and optimization of new leads and drugs.
The workshop is organized by: