Supramolecular interactions between library members modulate the behavior of dynamic combinatorial libraries

A Gastón Orrillo; Ricardo L E Furlan

doi:10.1021/jo902296h

Supramolecular interactions between library members modulate the behavior of dynamic combinatorial libraries

J Org Chem. 2010 Jan 1;75(1):211-4. doi: 10.1021/jo902296h.

Authors

A Gastón Orrillo¹, Ricardo L E Furlan

Affiliation

¹ Farmacognosia, Facultad de Ciencias Bioquímicas y Farmacéuticas, Universidad Nacional de Rosario, Rosario, Argentina.

PMID: 19957964
DOI: 10.1021/jo902296h

Abstract

The presence of a supramolecular network of interactions between library members can lead to very different responses when libraries with identical molecular composition are exposed to the same template. Numerical simulations demonstrate that supramolecular interactions between library members of covalent dynamic combinatorial libraries (DCLs) can affect both degree and selectivity of the response of the library when a template molecule is added.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Combinatorial Chemistry Techniques / methods*
Macromolecular Substances / chemistry*
Molecular Dynamics Simulation

Substances

Macromolecular Substances