Modeling the interaction between dendrimers and nucleic acids: a molecular perspective through hierarchical scales.

摘要: Cationic dendrimers are promising nanocarriers for gene delivery thanks to their ability establish strong interactions with oppositely charged strands of DNA and siRNA promote aggregation. The binding between nucleic acids is typically a complex process that involves various types at different scales. To design efficient dendrimer candidates it necessary have detailed understanding oligonucleotides in the solvent. Molecular simulation can support experimental work, providing privileged point view on aggregation process. This Minireview discusses recent computational efforts unravel dendrimer–oligonucleotide binding, proposes perspective multiscale based hierarchy transformations interacting “molecular units” following intermolecular interactions.