Dissipative particle dynamics simulation on drug loading/release in polyester-PEG dendrimer

Dissipative particle dynamic simulation on the assembly and release of siRNA/polymer/gold nanoparticles based polyplex

“…Our previous work also adopted DPD to investigate the self‐assembling dynamics of poly(styrene‐b‐ethylene oxide) (PS‐b‐PEO) block copolymer and quantum dots (QDs) in aqueous solutions. The conformations of polyester dendrimer micelles during the drug encapsulation and release process were found to agree well with the experiment results . In this study, DPD simulation and coarse‐grained models are coupled to reveal the encapsulation and release details of siRNA in different polymers/AuNPs systems.…”

“…Because of its advantages on providing the whole picture of the self‐assembly of cationic nanoparticles and macromolecules at well‐defined conditions (e.g., different pH values), dissipative particle dynamics (DPD) simulation is adopted here to study the assembly and release of siRNA/polymer/AuNPs polyplex. Similar approaches have been used by us and other teams to reveal drug loading and release mechanisms in some complicated, multi‐component systems . It had been approved to be suitable for different nanoparticle systems, including AuNPs in poly(ethylene oxide)‐poly(propylene oxide)‐poly(ethylene oxide) (PEO‐PPO‐PEO) block copolymer micelles and AuNPs with amphiphilic polymer brushes micelle .…”

Crosslinked superhydrophobic films fabricated by simply casting poly(methyl methacrylate-butyl acrylate-hydroxyethyl methacrylate)-b-poly(perfluorohexylethyl methacrylate) solution

“…The initiator (EBiB or EBP) was then added. The flask was placed in an oil bath maintained at the desired temperature [23]. The sample was diluted in acetone and filtered through a small plug of Al 2 O 3 .…”

Mechanistic Understanding From Molecular Dynamics Simulation in Pharmaceutical Research 1: Drug Delivery

“…Carbon Dots - (Erimban and Daschakraborty, 2020) Carbon Nanotubes - (Panczyk et al, 2013(Panczyk et al, , 2020Izadyar et al, 2016;Li et al, 2016a;Rungrotmongkol and Poo-arporn, 2016;Hashemzadeh and Raissi, 2017;Kamel et al, 2017;Wolski et al, 2017aWolski et al, , 2018Wolski et al, , 2020Wolski et al, , 2019Zaboli and Raissi, 2017;Karnati and Wang, 2018;Kavyani et al, 2018a,b;Zhang et al, 2018;Contreras et al, 2019;Dehneshin et al, 2019;Mortazavifar et al, 2019;Kordzadeh et al, 2019;Ghadri et al, 2020;Maleki et al, 2020;Pakdel et al, 2020;Pennetta et al, 2020) Dendrimers - (Kojima et al, 2000;Lee et al, 2002Maiti and Bagchi, 2006;Lee and Larson, 2008Vasumathi and Maiti, 2010;Nandy and Maiti, 2011;Huynh et al, 2012;Nandy et al, 2012Nandy et al, , 2013Jain et al, 2013Jain et al, , 2016Kłos and Sommer, 2013;Tian and Ma, 2013;Tu et al, 2013;Martinho et al, 2014;Wen et al, 2014;Jiang et al, 2015;…”

“…Once the nanoparticle has reached the cell, surviving the journey through the bloodstream with its payload still contained and intact, there is one final barrier that must be crossed for the drug delivery system to be efficacious: the cell membrane (Wolski et al, 2017a;Kordzadeh et al, 2019;Ghadri et al, 2020) Liposomes (Cern et al, 2014;Dzieciuch et al, 2015) Nanographene (Moradi et al, 2018;Mahdavi et al, 2020;Maleki et al, 2020) PAMAM dendrimers (Kelly et al, 2009;Wen et al, 2014;Barraza et al, 2015;Badalkhani-Khamseh et al, 2017Farmanzadeh and Ghaderi, 2018;Fox et al, 2018) Peptide Carriers (Thota et al, 2016) Polymeric Micelles (Patel et al, 2010a,b;Guo et al, 2012a;Kasomova et al, 2012;Nie et al, 2014;Myint et al, 2016;Shi et al, 2016;Gao et al, 2019;Kacar, 2019;Wu W. et al, 2019) Polymeric Nanoparticles (Shen et al, 2017;Yahyaei et al, 2017;Ghitman et al, 2019;Styliari et al, 2020) Polymersomes (Grillo et al, 2018) Cargo Molecules: 5-flouracil (Barraza et al, 2015) Albendazole (da Silva Costa et al, 2020) Carmustine (Wolski et al, 2017a) Chacone (Badalkhani-Khamseh et al, 2019) Cucurbitacin (Patel et al, 2010a) Doxorubicin (Yang et al, 2012;Nie et al, 2013;Kordzadeh et al, 2019;Koochaki et al, 2020;…”