Multiscale physics-based in silico modelling of nanocarrier-assisted intravascular drug delivery
A rational design of drug nanocarriers supported by in silico modelling tools can improve the efficacy of nanosystem-based intravascular drug delivery (IVDD). Computational model development stems from the vision of replacing conventional (pre)clinical trials with advanced simulations and applies to...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2024-03-01
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| Series: | Frontiers in Drug Delivery |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fddev.2024.1362660/full |
| _version_ | 1797279292992782336 |
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| author | Nicolae-Viorel Buchete Nicolae-Viorel Buchete Iwona Cicha Sutapa Dutta Sutapa Dutta Panagiotis Neofytou |
| author_facet | Nicolae-Viorel Buchete Nicolae-Viorel Buchete Iwona Cicha Sutapa Dutta Sutapa Dutta Panagiotis Neofytou |
| author_sort | Nicolae-Viorel Buchete |
| collection | DOAJ |
| description | A rational design of drug nanocarriers supported by in silico modelling tools can improve the efficacy of nanosystem-based intravascular drug delivery (IVDD). Computational model development stems from the vision of replacing conventional (pre)clinical trials with advanced simulations and applies to the development of more efficient nanocarriers for intravascular therapies. To establish a standardized framework for in silico preclinical trials, it is necessary to include in silico tools that can model each experimental stage of a preclinical trial for a respective nanocarrier system and give accurate and verifiable results. This review paper highlights the status of intravascular drug delivery supported by nanocarriers and discusses the modelling stages of a physics-based multiscale modelling framework that should be developed, validated and exploited to address the need for an effective preclinical assessment of nanocarriers for IVDD. |
| first_indexed | 2024-03-07T16:22:12Z |
| format | Article |
| id | doaj.art-ed21a9d02103450793f3ee4acc8d1473 |
| institution | Directory Open Access Journal |
| issn | 2674-0850 |
| language | English |
| last_indexed | 2024-03-07T16:22:12Z |
| publishDate | 2024-03-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Drug Delivery |
| spelling | doaj.art-ed21a9d02103450793f3ee4acc8d14732024-03-04T04:51:49ZengFrontiers Media S.A.Frontiers in Drug Delivery2674-08502024-03-01410.3389/fddev.2024.13626601362660Multiscale physics-based in silico modelling of nanocarrier-assisted intravascular drug deliveryNicolae-Viorel Buchete0Nicolae-Viorel Buchete1Iwona Cicha2Sutapa Dutta3Sutapa Dutta4Panagiotis Neofytou5School of Physics, University College Dublin, Dublin, IrelandInstitute for Discovery, University College Dublin, Dublin, IrelandENT-Department, Section of Experimental Oncology und Nanomedicine (SEON), Universitätsklinikum Erlangen, Erlangen, GermanySchool of Physics, University College Dublin, Dublin, IrelandInstitute for Discovery, University College Dublin, Dublin, IrelandThermal Hydraulics and Multiphase Flow Laboratory, Institute of Nuclear & Radiology Sciences and Technology, Energy & Safety, National Centre for Scientific Research “Demokritos”, Athens, GreeceA rational design of drug nanocarriers supported by in silico modelling tools can improve the efficacy of nanosystem-based intravascular drug delivery (IVDD). Computational model development stems from the vision of replacing conventional (pre)clinical trials with advanced simulations and applies to the development of more efficient nanocarriers for intravascular therapies. To establish a standardized framework for in silico preclinical trials, it is necessary to include in silico tools that can model each experimental stage of a preclinical trial for a respective nanocarrier system and give accurate and verifiable results. This review paper highlights the status of intravascular drug delivery supported by nanocarriers and discusses the modelling stages of a physics-based multiscale modelling framework that should be developed, validated and exploited to address the need for an effective preclinical assessment of nanocarriers for IVDD.https://www.frontiersin.org/articles/10.3389/fddev.2024.1362660/fulldrug delivery nanocarriersatomistic molecular modellingcoarse-grained molecular modelingnanoparticle protein coronafluid-nanocarrier interaction modellingcomputational fluid-particle dynamics |
| spellingShingle | Nicolae-Viorel Buchete Nicolae-Viorel Buchete Iwona Cicha Sutapa Dutta Sutapa Dutta Panagiotis Neofytou Multiscale physics-based in silico modelling of nanocarrier-assisted intravascular drug delivery Frontiers in Drug Delivery drug delivery nanocarriers atomistic molecular modelling coarse-grained molecular modeling nanoparticle protein corona fluid-nanocarrier interaction modelling computational fluid-particle dynamics |
| title | Multiscale physics-based in silico modelling of nanocarrier-assisted intravascular drug delivery |
| title_full | Multiscale physics-based in silico modelling of nanocarrier-assisted intravascular drug delivery |
| title_fullStr | Multiscale physics-based in silico modelling of nanocarrier-assisted intravascular drug delivery |
| title_full_unstemmed | Multiscale physics-based in silico modelling of nanocarrier-assisted intravascular drug delivery |
| title_short | Multiscale physics-based in silico modelling of nanocarrier-assisted intravascular drug delivery |
| title_sort | multiscale physics based in silico modelling of nanocarrier assisted intravascular drug delivery |
| topic | drug delivery nanocarriers atomistic molecular modelling coarse-grained molecular modeling nanoparticle protein corona fluid-nanocarrier interaction modelling computational fluid-particle dynamics |
| url | https://www.frontiersin.org/articles/10.3389/fddev.2024.1362660/full |
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