Molecular Dynamics Study of the Structure, Flexibility, and Hydrophilicity of PETIM Dendrimers: A Comparison with PAMAM Dendrimers

2015 ◽  
Vol 119 (41) ◽  
pp. 12990-13001 ◽  
Author(s):  
Subbarao Kanchi ◽  
Gorle Suresh ◽  
U. Deva Priyakumar ◽  
K. G. Ayappa ◽  
Prabal K Maiti
Keyword(s):  
Molecular Dynamics ◽  
Pamam Dendrimers ◽  
Structure Flexibility

Polyamidoamine-based nanovector for the efficient delivery of methotrexate to U87 glioma cells

Nanomedicine ◽  
2020 ◽  
Author(s):  
Natalia Ortiz ◽  
Pilar A Vásquez ◽  
Felipe Vidal ◽  
Carola F Díaz ◽  
José L Guzmán ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Hippocampal Neurons ◽  
Glioma Cells ◽  
Pamam Dendrimers ◽  
Free Drug ◽  
Drug Uptake ◽  
Fourth Generation ◽  
Efficient Delivery ◽  
Dynamics Simulations

The purpose of this study was to design a polyamidoamine (PAMAM)-based nanovector for the efficient delivery of methotrexate to U87 glioma cells. To this end, 0–100% acetylated PAMAM dendrimers of the fourth generation were synthesized and evaluated using drug encapsulation measurements, molecular dynamics simulations, neurotoxicity assays and neuronal internalization experiments. The best system was tested as a nanovector for methotrexate delivery to U87 glioma cells. The authors found that 25% acetylated PAMAM dendrimers of the fourth-generation combine low intrinsic toxicity, large drug complexation capacity and efficient internalization into hippocampal neurons. Nanovector complexation enhances the cytotoxic response of methotrexate against U87 glioma cells compared with free drug solutions. In conclusion, 25% acetylated PAMAM dendrimers of the fourth-generation increase drug uptake by glioma cells and thereby act as efficient nanovectors for methotrexate delivery.

scholarly journals Role of Counterions in Constant-pH Molecular Dynamics Simulations of PAMAM Dendrimers

ACS Omega ◽  
2018 ◽  
Vol 3 (2) ◽  
pp. 2001-2009 ◽  
Author(s):  
Pedro B. P. S. Reis ◽  
Diogo Vila-Viçosa ◽  
Sara R. R. Campos ◽  
António M. Baptista ◽  
Miguel Machuqueiro
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Pamam Dendrimers ◽  
Constant Ph ◽  
Dynamics Simulations ◽  
Constant Ph Molecular Dynamics
Sign in / Sign up

Export Citation Format

Share Document