title: Adaptive Correction from Virtually Complex Dynamic Libraries: The Role of Noncovalent Interactions in Structural Selection and Folding.
abstract: The hierarchical self-assembling of complex molecular systems is dictated by the chemical and structural information stored in their components. This information can be expressed through an adaptive process that determines the structurally fittest assembly under given environmental conditions. We have set up complex disulfide-based dynamic covalent libraries of chemically and topologically diverse pseudopeptidic compounds. We show how the reaction evolves from very complex mixtures at short reaction times to the almost exclusive formation of a major compound, through the establishment of intramolecular noncovalent interactions. Our experiments demonstrate that the systems evolve through error-check and error-correction processes. The nature of these interactions, the importance of the folding and the effects of the environment are also discussed.
authors.affiliation: Department of Biological Chemistry and Molecular Modelling, Institute of Advanced Chemistry of Catalonia (IQAC-CSIC), Jordi Girona 18-26, 08034, Barcelona (Spain).
authors.forename: Maria
authors.initials: M
authors.lastname: Lafuente
authors.affiliation: Department of Biological Chemistry and Molecular Modelling, Institute of Advanced Chemistry of Catalonia (IQAC-CSIC), Jordi Girona 18-26, 08034, Barcelona (Spain).
authors.forename: Joan
authors.initials: J
authors.lastname: Atcher
authors.affiliation: Department of Biological Chemistry and Molecular Modelling, Institute of Advanced Chemistry of Catalonia (IQAC-CSIC), Jordi Girona 18-26, 08034, Barcelona (Spain). jordi.sola@iqac.csic.es.
authors.forename: Jordi
authors.initials: J
authors.lastname: Solà
authors.affiliation: Department of Biological Chemistry and Molecular Modelling, Institute of Advanced Chemistry of Catalonia (IQAC-CSIC), Jordi Girona 18-26, 08034, Barcelona (Spain). ignacio.alfonso@iqac.csic.es.
authors.forename: Ignacio
authors.initials: I
authors.lastname: Alfonso
keywords: conformation analysis; molecular evolution; noncovalent interactions; peptidomimetics; self-assembly