Место издания:PRIST University Thanjavur, TN, India
Первая страница:8
Последняя страница:9
Аннотация:The role of QSAR studies, molecular modeling and molecular dynamics simulation in the development of new neuroprotective compounds is discussed. The molecular models of ionotropic glutamate receptors (NMDA and AMPA) as well as GABAA receptors (several subtypes) and their complexes with agonists, antagonists, ion channel blockers, and allosteric modulators are considered and analyzed. The influence of structural modifications of ligands on their interaction with the particular receptor subtypes and the design of compounds selectively interacting with a given receptor subtype are discussed. A series of new monovalent and bivalent positive AMPA receptor modulators have been designed using a number of computational techniques. The bivalent modulators have demonstrated the outstanding potency significantly exceeding the potency of monovalent ligands. In vivo studies of these compounds revealed the pronounced cognition-enhancing properties for them as well as the formation of stronger memory.