Microtech2010 2010

Method development for glucosamine modified PAMAM dendrimers 3D structure generation

T.S. Barata, S. Brocchini, I. Teo, S. Shaunak, M. Zloh
School of Pharmacy - University of London, UK

Keywords: dendrimers, PAMAM, computational chemistry, molecular modeling

Abstract:

Dendrimers are macromolecules that are considered as potential nanomedicines which display polyvalency but also share properties with low molecular molecules (e.g. low viscosity). Mono-saccharide modified polyamidoamine (PAMAM) dendrimers have been reported to have immuno-modulatory and anti-angiogenic activity that can prevent the progress of inflammatory responses (Shaunak et al, 2004). It is thought that dendrimer interactions with the lipid polysaccharide (LPS) recognition system and, more specifically, with the cell membrane TLR4-MD2 complex may be responsible for its activity. End-group conjugation of the saccharide allows the loading of these dendrimers to be estimated, but the position and exact number of saccharide moieties cannot be determined. This would only be possible by following a convergent synthetic route which is unrealistic. To aid in the efforts to determine structure activity relationships (SAR), computational methods have been developed to generate defined 3D models of the saccharide modified dendrimers.
 
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