The long-term goal of this proposal is to better define relationships between structure and activity in aqueous solution. Specifically, the work proposed here will consider the facets of molecular structure relevant to affinity and specificity in aqueous association phenomena. We will consider these issues in the context of small molecule chelates for various metal ions, in the development of high affinity protein-carbohydrate interactions, and in the development of novel heterobivalent ligands for the matrix metalloprotease stromelysin. Our studies to define structure-function relationships in aqueous solution will facilitate the design and preparation of small molecule ligands with a priori defined properties. These ligands could serve a wide variety of therapeutic roles, as agonist/antagonist ligands for various receptors and as inhibitors of various enzymes.
