Correlation between Host–Guest Binding and Host Amplification in Simulated Dynamic Combinatorial Libraries
- 24 June 2004
- journal article
- research article
- Published by Wiley in Chemistry – A European Journal
- Vol. 10 (13) , 3139-3143
- https://doi.org/10.1002/chem.200400300
Abstract
We present a versatile computer model of diverse dynamic combinatorial libraries, and examine how molecular recognition between library members and a template can be used to amplify the best binders. The correlation between host–guest binding and amplification was examined for a set of 50 libraries with >300 components each over a wide range of template and building block concentrations. Depending on these concentrations correlations vary from poor (when using a large excess of template) to good (for very dilute libraries and/or substoichiometric template concentrations), highlighting the need to choose the experimental conditions for dynamic combinatorial libraries thoughtfully.Keywords
This publication has 32 references indexed in Scilit:
- The Advantage of Being Virtual—Target‐Induced Adaptation and Selection in Dynamic Combinatorial LibrariesChemistry – A European Journal, 2004
- Selection and Amplification of Mixed‐Metal Porphyrin Cages from Dynamic Combinatorial LibrariesChemistry – A European Journal, 2003
- Adaptives Verhalten von dynamischen kombinatorischen Bibliotheken, die durch Assoziation unterschiedlicher Bausteine erhalten wurdenAngewandte Chemie, 2003
- Dynamic Combinatorial Optimization of a Neutral Receptor That Binds Inorganic Anions in Aqueous SolutionJournal of the American Chemical Society, 2003
- Metal-ion induced amplification of three receptors from dynamic combinatorial libraries of peptide-hydrazonesElectronic supplementary information (ESI) available: NMR and IR data of the Li+ complexes of (mPF)2, (pPF)3 and (pPC)3. See http://www.rsc.org/suppdata/ob/b3/b300956d/Organic & Biomolecular Chemistry, 2003
- Selection and Amplification of a Catalyst from a Dynamic Combinatorial LibraryAngewandte Chemie International Edition in English, 2003
- Dynamic combinatorial chemistryDrug Discovery Today, 2002
- RNA-Selective Coordination Complexes Identified via Dynamic Combinatorial ChemistryJournal of the American Chemical Society, 2001
- Molecular amplification in a dynamic combinatorial library using non-covalent interactionsChemical Communications, 2000
- Chemical Evolution: A Model System That Selects and Amplifies a Receptor for the Tripeptide (d)Pro(l)Val(d)ValThe Journal of Organic Chemistry, 1998