Artificial receptors: molecular modelling studies of calix[4]resorcinarene-capped porphyrins

Abstract

The design of synthetic receptors is a very attractive and growing area of supramolecular chemistry whose main aim is the production of molecular devices with specific functional properties to be used as catalysts, sensors or molecular carriers. Elaborated metalloporphyrins are interesting synthetic targets in this area as functional models (biomimetics) for the active sites of metalloproteins such as hémoglobine, mioglobine and cytochromes due to the fundamental role played by these macromolecules in biological processes. The capped-porphyrin, for example, are designed to provide an hydrophobic pocket above the porphyrin on the distal side. Immobilization of different binding sites, like calixarenes, on the porphyrin platform gives rise to specific size-shape selectivity in substrate recognition.