Multiscale modelling of drug-polymer nanoparticle assembly identifies parameters influencing drug encapsulation efficiency
Using a multiscale (dual resolution) approach combining an atomistic (GROMOS96) and coarse-grain (MARTINI) force field, we have been able to simulate the process of drug-polymer nanoparticle assembly by nanoprecipitation from mixed solvents. Here we present the development and application of this me...
| Main Authors: | Mackenzie, Robert, Booth, Jonathan, Alexander, Cameron, Garnett, Martin, Laughton, Charles A. |
|---|---|
| Format: | Article |
| Published: |
American Chemical Society
2015
|
| Subjects: | |
| Online Access: | https://eprints.nottingham.ac.uk/29664/ |
Similar Items
Computational modelling of polymer-based drug delivery systems
by: Mackenzie, R.C.
Published: (2015)
by: Mackenzie, R.C.
Published: (2015)
Synthesis of nucleoside-boronic esters hydrophobic pro-drugs: a possible route to improve hydrophilic nucleoside drug loading into polymer nanoparticles
by: Abo-zeid, Yasmin, et al.
Published: (2018)
by: Abo-zeid, Yasmin, et al.
Published: (2018)
Synthesis and properties of a biodegradable polymer-drug conjugate: Methotrexate-poly(glycerol adipate)
by: Suksiriworapong, Jiraphong, et al.
Published: (2018)
by: Suksiriworapong, Jiraphong, et al.
Published: (2018)
Variation in structure and properties of poly(glycerol adipate) via control of chain branching during enzymatic synthesis
by: Taresco, Vincenzo, et al.
Published: (2016)
by: Taresco, Vincenzo, et al.
Published: (2016)
OPTIMIZATION OF NOVEL POLYMERIC NANOPARTICLE FORMULATIONS FOR INHALED TARGETED THERAPY OF LUNG DISEASES
by: Elbahr, Ramy Said Hussenien Mohamed
Published: (2024)
by: Elbahr, Ramy Said Hussenien Mohamed
Published: (2024)
Properties of acyl modified poly(glycerol-adipate) comb-like polymers and their self-assembly into nanoparticles
by: Taresco, Vincenzo, et al.
Published: (2016)
by: Taresco, Vincenzo, et al.
Published: (2016)
Enhanced nanoparticle uptake into virus infected cells: could nanoparticles be useful in antiviral therapy?
by: Abo-zeid, Yasmin, et al.
Published: (2018)
by: Abo-zeid, Yasmin, et al.
Published: (2018)
A multiscale analysis of drug transport and response for a multiphase tumor model
by: Collis, Joe, et al.
Published: (2016)
by: Collis, Joe, et al.
Published: (2016)
Nucleoside based self-assembling drugs for localized drug delivery
by: Skilling, Kathryn J., et al.
Published: (2018)
by: Skilling, Kathryn J., et al.
Published: (2018)
Improving Nanoparticle Drug loading: Matching Polymer to Drug Properties and making of Polymer coated Drug Nanoparticles
by: ANIMASAWUN, R.K
Published: (2020)
by: ANIMASAWUN, R.K
Published: (2020)
Rational engineering of Apoferritin-based nanoparticles for drug delivery
by: Crowhurst, Samuel
Published: (2025)
by: Crowhurst, Samuel
Published: (2025)
Systematic development of electrospun PLA/PCL fibre hybrid mats: Preparation, material characterisation and application in drug delivery
by: Haroosh, Hazim Jasim Mohammed, et al.
Published: (2015)
by: Haroosh, Hazim Jasim Mohammed, et al.
Published: (2015)
Development of multifunctional drug delivery systems based on virus-like nanoparticles for cancer targeting drug delivery
by: Biabanikhankahdani, Roya
Published: (2017)
by: Biabanikhankahdani, Roya
Published: (2017)
Improving drug delivery to the lungs as a function of excipient choice
by: Olubi, Rebecca
Published: (2024)
by: Olubi, Rebecca
Published: (2024)
Multiscale modelling of nutrient and water uptake by plants
by: Köry, Jakub
Published: (2018)
by: Köry, Jakub
Published: (2018)
Self-assembling antitumour prodrugs for localised drug delivery
by: Citossi, Francesca
Published: (2016)
by: Citossi, Francesca
Published: (2016)
Optimization of aptamer-based manganese doped zinc sulphide/chitosan and carbon dots/chitosan as drug nanocarriers for controlled release of Mitomycin C
by: Abd Manan, Fariza Aina
Published: (2024)
by: Abd Manan, Fariza Aina
Published: (2024)
Synthesis, characterization and cytotoxicity evaluation of carboxylated carbon nanotubes functionalized with silibinin, betulinic acid and levodopa for drug delivery
by: Tan, Julia Meihua
Published: (2015)
by: Tan, Julia Meihua
Published: (2015)
A Generalized Multiscale Finite Element Method for poroelasticity problems II: nonlinear coupling
by: Brown, Donald, et al.
Published: (2015)
by: Brown, Donald, et al.
Published: (2015)
Directional Multiscale Analysis and Optimization for Surface Textures
by: Podsiadlo, Pawel, et al.
Published: (2013)
by: Podsiadlo, Pawel, et al.
Published: (2013)
Drug delivery systems based on iron oxide magnetite-layered double hydroxide nanoparticles for liver anti-cancer drugs
by: Ebadi, Mona
Published: (2021)
by: Ebadi, Mona
Published: (2021)
Multiscale analysis of pattern formation via intercellular signalling
by: O'Dea, Reuben D., et al.
Published: (2011)
by: O'Dea, Reuben D., et al.
Published: (2011)
Poly(lactic acid)-poly(ethylene glycol) copolymers for use as drug delivery systems
by: Hagan, Susan Anne
Published: (1998)
by: Hagan, Susan Anne
Published: (1998)
Critical processes in drug release from HPMC controlled release matrices
by: Pygall, Samuel R.
Published: (2009)
by: Pygall, Samuel R.
Published: (2009)
Advanced PID Controller Synthesis using Multiscale Control Scheme
by: Ugon, B., et al.
Published: (2014)
by: Ugon, B., et al.
Published: (2014)
Development and in vitro bioevaluation of cockle shell-calcium carbonate (Aragonite) nanoparticles for intracellular drug delivery
by: Isa, Tijani
Published: (2015)
by: Isa, Tijani
Published: (2015)
Mathematical and computational models of drug transport in tumours
by: Groh, C.M., et al.
Published: (2014)
by: Groh, C.M., et al.
Published: (2014)
Nanocapsules loaded hydrogels for intra-articular and intra-peritoneal drug delivery
by: Surikutchi, Bhanu Teja
Published: (2020)
by: Surikutchi, Bhanu Teja
Published: (2020)
Application of bile acids in drug formulation and delivery
by: Stojancevic, M., et al.
Published: (2014)
by: Stojancevic, M., et al.
Published: (2014)
A multiscale analysis of nutrient transport and biological tissue growth in vitro
by: O'Dea, Reuben D., et al.
Published: (2014)
by: O'Dea, Reuben D., et al.
Published: (2014)
Correlating drug release with microstructure of hydrogel-based delivery systems
by: Prasittisart, Pundarik
Published: (2020)
by: Prasittisart, Pundarik
Published: (2020)
Drug-loaded hydrogel microneedles for sustainable transdermal delivery of macromolecular proteins
by: Chandran, Rubhan, et al.
Published: (2025)
by: Chandran, Rubhan, et al.
Published: (2025)
Synthesis and in-vitro toxicity evaluation of anticancer drugs-loaded chitosan nanoparticles as therapeutic nanocarriers for the treatment of hepatocellular carcinoma
by: Mohammed, Albalawi Fahad
Published: (2023)
by: Mohammed, Albalawi Fahad
Published: (2023)
Oral lipid-based drug delivery approaches to improve the intestinal lymphatic transport and systemic bioavailability of a highly lipophilic drug cannabidiol
by: Feng, Wanshan
Published: (2022)
by: Feng, Wanshan
Published: (2022)
Towards a multiscale scheme for nonlinear dynamic analysis of masonry structures with damage
by: Triantafyllou, Savvas P., et al.
Published: (2015)
by: Triantafyllou, Savvas P., et al.
Published: (2015)
Capturing the dynamics of a hybrid multiscale cancer model
with a continuum model
by: Joshi, Tanvi V., et al.
Published: (2018)
by: Joshi, Tanvi V., et al.
Published: (2018)
Development of an EGFR-targeted Drug Delivery System for Glioblastoma
by: Zhao, Zi-Ruo
Published: (2023)
by: Zhao, Zi-Ruo
Published: (2023)
Drug delivery across length scales
by: Delcassian, Derfogail, et al.
Published: (2018)
by: Delcassian, Derfogail, et al.
Published: (2018)
Three-dimensional flower-like brushite crystals prepared from high internal phase emulsion for drug delivery application
by: Hong, Ngee Lim, et al.
Published: (2009)
by: Hong, Ngee Lim, et al.
Published: (2009)
Development and application of in vitro approaches to assess the interactions of aerosolised drugs with pulmonary mucus
by: Alqahtani, Safar
Published: (2019)
by: Alqahtani, Safar
Published: (2019)
Similar Items
-
Computational modelling of polymer-based drug delivery systems
by: Mackenzie, R.C.
Published: (2015) -
Synthesis of nucleoside-boronic esters hydrophobic pro-drugs: a possible route to improve hydrophilic nucleoside drug loading into polymer nanoparticles
by: Abo-zeid, Yasmin, et al.
Published: (2018) -
Synthesis and properties of a biodegradable polymer-drug conjugate: Methotrexate-poly(glycerol adipate)
by: Suksiriworapong, Jiraphong, et al.
Published: (2018) -
Variation in structure and properties of poly(glycerol adipate) via control of chain branching during enzymatic synthesis
by: Taresco, Vincenzo, et al.
Published: (2016) -
OPTIMIZATION OF NOVEL POLYMERIC NANOPARTICLE FORMULATIONS FOR INHALED TARGETED THERAPY OF LUNG DISEASES
by: Elbahr, Ramy Said Hussenien Mohamed
Published: (2024)