Polyamidoamine (Yet Not PAMAM) Dendrimers as Bioinspired Materials for Drug Delivery: Structure-Activity Relationships by Molecular Simulations

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• 作者：Lorenzo Metullio ; Marco Ferrone ; Alessandro Coslanich ; Sabine Fuchs ; Maurizio Fermeglia ; Maria Silvia Paneni ; and Sabrina Pricl
• 刊名：Biomacromolecules
• 出版年：2004
• 出版时间：July 2004
• 年：2004
• 卷：5
• 期：4
• 页码：1371 - 1378
• 全文大小：311K
• 年卷期：v.5,no.4(July 2004)
• ISSN：1526-4602

文摘

In this paper, we report the results obtained from a comprehensive characterization of newly synthesizeddendrimeric molecules in a solvated environment, by computer-aided simulations. The evidences allowedus 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 moredense and globular shape and by a smoother surface pattern, as quantified by their fractal dimension D.