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Polyamidoamine (Yet Not PAMAM) dendrimers as bioinspired materials for drug delivery: structure-activity relationships by molecular simulations.

Authors
  • Metullio, Lorenzo
  • Ferrone, Marco
  • Coslanich, Alessandro
  • Fuchs, Sabine
  • Fermeglia, Maurizio
  • Paneni, Maria Silvia
  • Pricl, Sabrina
Type
Published Article
Journal
Biomacromolecules
Publication Date
Jan 01, 2004
Volume
5
Issue
4
Pages
1371–1378
Identifiers
PMID: 15244453
Source
Medline
License
Unknown

Abstract

In this paper, we report the results obtained from a comprehensive characterization of newly synthesized dendrimeric molecules in a solvated environment, by computer-aided simulations. The evidences allowed us to formulate some structure-activity relationships (SARs) between the experimentally verified cytotoxicity/noncytotoxicity of these compounds and some molecular features such as, for instance, radius of gyration, molecular shape, and dimensions. In particular, all noncytotoxic dendrimers were characterized by a more dense and globular shape and by a smoother surface pattern, as quantified by their fractal dimension D.

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