ABSTRACT
Cyclodextrin complexes are until now the only group of supramolecular complexes which has found numerous applications in pharmaceutical, food, dying and cleaning industries, in agrochemistry, cosmetics, etc. Therefore, modeling the complex formation is not only of theoretical but also of practical importance. In particular, determination of relative stability of diastereomeric cyclodextrin complexes with enantiomers of drugs is of great value for pharmaceutical industry in view of the different biological activity and possible side effects of the second enantiomer of the drug. Reliability and accuracy of various methods used to model molecular and chiral recognition by cyclodextrins need to be assessed in view of the complexity of these molecules and that of their complexes. The talk aims at organization of a group, consisting of both theoreticians and experimentalists, which will work on new, reliable approaches in the modeling of molecular and chiral recognition by cyclodextrins.
