title: Modeling the interaction between dendrimers and nucleic acids: a molecular perspective through hierarchical scales.
abstract: Cationic dendrimers are promising nanocarriers for gene delivery thanks to their ability to establish strong interactions with oppositely charged strands of DNA and siRNA and to promote their aggregation. The binding between dendrimers and nucleic acids is typically a complex process that involves various types of interactions at different scales. To design efficient dendrimer candidates for DNA and siRNA binding it is necessary to have a detailed understanding of their interactions with oligonucleotides in the solvent. Molecular simulation can support experimental work, providing a privileged point of view on the aggregation process. This Minireview discusses recent computational efforts to unravel dendrimer-oligonucleotide binding, and proposes a perspective of the multiscale aggregation process based on hierarchy and on the transformations of the interacting "molecular units" following intermolecular interactions.
authors.affiliation: Department of Innovative Technologies, University of Applied Science of Southern Switzerland, Galleria 2, Manno 6928 (Switzerland). giovanni.pavan@supsi.ch.
authors.forename: Giovanni M
authors.initials: GM
authors.lastname: Pavan
mesh_terms: D004247:DNA / Q000737:chemistry / Q000378:metabolism; D050091:Dendrimers / Q000737:chemistry / Q000378:metabolism*; D018014:Gene Transfer Techniques; D057927:Hydrophobic and Hydrophilic Interactions; D008968:Molecular Conformation; D056004:Molecular Dynamics Simulation; D009696:Nucleic Acids / Q000737:chemistry / Q000378:metabolism*; D034741:RNA, Small Interfering / Q000737:chemistry / Q000378:metabolism
chemical_list: D050091:Dendrimers; D009696:Nucleic Acids; D034741:RNA, Small Interfering; D004247:DNA
keywords: DNA binding; dendrimers; molecular recognition; multiscale interactions; siRNA binding