Virtual combinatorial libraries: Dynamic generation of molecular and supramolecular diversity by self-assembly
- 18 March 1997
- journal article
- Published by Proceedings of the National Academy of Sciences in Proceedings of the National Academy of Sciences of the United States of America
- Vol. 94 (6), 2106-2110
- https://doi.org/10.1073/pnas.94.6.2106
Abstract
Molecular and supramolecular diversity may be generated, respectively, by reversible, covalent or noncovalent self-assembly of basic components whose various potential combinations in number and nature represent a virtual combinatorial library. This concept is applied to the induction of inhibitors of carbonic anhydrase (CA) by reversible recombination of aldehyde and amine components. It is found that the presence of CA favors the formation of those condensation compounds that may be expected to present the strongest binding to the CA active site. The virtual combinatorial library approach may represent a powerful methodology for the discovery of substrates, inhibitors, receptors, catalysts, and carriers for a variety of processes.Keywords
This publication has 31 references indexed in Scilit:
- CaCl3- or Ca2Cl4 Complexing Cyclic Aromatic Amide. Template Effect on CyclizationJournal of the American Chemical Society, 1996
- Self-Assembled Ionophores from IsoguanosineThe Journal of Organic Chemistry, 1995
- A 'smart' catalyst that self-assembles under turnover conditionsNature, 1995
- Role of Geometrical Factors in Template EffectsJournal of the American Chemical Society, 1994
- Mapping Protein-Peptide Affinity: Binding of Peptidylsulfonamide Inhibitors to Human Carbonic Anhydrase IIJournal of the American Chemical Society, 1994
- Multiple Highly Diverse Structures Complementary to Enzyme Binding Sites: Results of Extensive Application of a de Novo Design Method Incorporating Combinatorial GrowthJournal of the American Chemical Society, 1994
- Lack of Effect of the Length of Oligoglycine- and Oligo(ethylene glycol)-Derived para-Substituents on the Affinity of Benzenesulfonamides for Carbonic Anhydrase II in SolutionJournal of the American Chemical Society, 1994
- Template-directed synthesis: use of a reversible reactionJournal of the American Chemical Society, 1992
- Polyaza macrobicyclic cryptands: synthesis, crystal structures of a cyclophane type macrobicyclic cryptand and of its dinuclear copper(I) cryptate, and anion binding featuresJournal of the Chemical Society, Chemical Communications, 1987
- Kinetic aspects of structure─activity relations: the binding of sulphonamides by carbonic anhydraseProceedings of the Royal Society of London. B. Biological Sciences, 1976