Antibody-Ligand Interactions: Computational Modeli ng and Correlation with Biophysical Measurements

Authors: Linthicum D.S.; Tetin S.Y.; Anchin J.M.; Loerger T.R.

Source: Combinatorial Chemistry & High Throughput Screening, Volume 4, Number 5, August 2001 , pp. 439-449(11)

Publisher: Bentham Science Publishers

Abstract:

Several new aspects of computer-assisted molecular modeling strategies and biophysical techniques, such as fluorescence spectroscopy, circular dichroism, and absorption spectroscopy, have proved useful in the analysis and description of antibody-ligand interactions. The molecular features involved in determining the specificity of antibody-ligand interactions, such as electrostatics (e.g. partial charges, salt bridges, pi-cation motifs), hydrogen-bonds, polarization, hydrophobic interactions, hydration and solvation effects, entropy, and kinetics can be identified using a battery of biophysical techniques. An understanding of these parameters is essential to our use of antibodies as tools in high throughput screening of chemical libraries for the discovery of novel compounds.

Keywords: antibody ligand interactions; radiommunoassay ria enzyme immunoassay eia; equilibrium dialysis ria; computer assisted molecular modeling camm

Language: English

Document Type: Review article

DOI: http://dx.doi.org/10.2174/1386207013330995

Publication date: 2001-08-01

• Combinatorial Chemistry & High Throughput Screening publishes full length original research articles and reviews describing various topics in combinatorial chemistry (e.g. small molecules, peptide, nucleic acid or phage display libraries) and/or high throughput screening (e.g. developmental, practical or theoretical). Ancillary subjects of key importance, such as robotics and informatics, will also be covered by the journal. In these respective subject areas, Combinatorial Chemistry & High Throughput Screening is intended to function as the most comprehensive and up-to-date medium available. The journal should be of value to individuals engaged in the process of drug discoveryand development, in the settings of industry, academia or government.

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