In Silico Evaluation of Paxlovid’s Pharmacometrics for SARS-CoV-2: A Multiscale Approach
Paxlovid is a promising, orally bioavailable novel drug for SARS-CoV-2 with excellent safety profiles. Our main goal here is to explore the pharmacometric features of this new antiviral. To provide a detailed assessment of Paxlovid, we propose a hybrid multiscale mathematical approach. We demonstrat...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2022-05-01
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| Series: | Viruses |
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| Online Access: | https://www.mdpi.com/1999-4915/14/5/1103 |
| _version_ | 1827665814437756928 |
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| author | Ferenc A. Bartha Nóra Juhász Sadegh Marzban Renji Han Gergely Röst |
| author_facet | Ferenc A. Bartha Nóra Juhász Sadegh Marzban Renji Han Gergely Röst |
| author_sort | Ferenc A. Bartha |
| collection | DOAJ |
| description | Paxlovid is a promising, orally bioavailable novel drug for SARS-CoV-2 with excellent safety profiles. Our main goal here is to explore the pharmacometric features of this new antiviral. To provide a detailed assessment of Paxlovid, we propose a hybrid multiscale mathematical approach. We demonstrate that the results of the present in silico evaluation match the clinical expectations remarkably well: on the one hand, our computations successfully replicate the outcome of an actual in vitro experiment; on the other hand, we verify both the sufficiency and the necessity of Paxlovid’s two main components (nirmatrelvir and ritonavir) for a simplified in vivo case. Moreover, in the simulated context of our computational framework, we visualize the importance of early interventions and identify the time window where a unit-length delay causes the highest level of tissue damage. Finally, the results’ sensitivity to the diffusion coefficient of the virus is explored in detail. |
| first_indexed | 2024-03-10T01:35:20Z |
| format | Article |
| id | doaj.art-3899255902ad48269146aa0e042ef9b2 |
| institution | Directory Open Access Journal |
| issn | 1999-4915 |
| language | English |
| last_indexed | 2024-03-10T01:35:20Z |
| publishDate | 2022-05-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Viruses |
| spelling | doaj.art-3899255902ad48269146aa0e042ef9b22023-11-23T13:33:21ZengMDPI AGViruses1999-49152022-05-01145110310.3390/v14051103In Silico Evaluation of Paxlovid’s Pharmacometrics for SARS-CoV-2: A Multiscale ApproachFerenc A. Bartha0Nóra Juhász1Sadegh Marzban2Renji Han3Gergely Röst4Bolyai Institute, University of Szeged, H-6720 Szeged, HungaryBolyai Institute, University of Szeged, H-6720 Szeged, HungaryBolyai Institute, University of Szeged, H-6720 Szeged, HungarySchool of Sciences, Zhejiang University of Science and Technology, Hangzhou 310023, ChinaBolyai Institute, University of Szeged, H-6720 Szeged, HungaryPaxlovid is a promising, orally bioavailable novel drug for SARS-CoV-2 with excellent safety profiles. Our main goal here is to explore the pharmacometric features of this new antiviral. To provide a detailed assessment of Paxlovid, we propose a hybrid multiscale mathematical approach. We demonstrate that the results of the present in silico evaluation match the clinical expectations remarkably well: on the one hand, our computations successfully replicate the outcome of an actual in vitro experiment; on the other hand, we verify both the sufficiency and the necessity of Paxlovid’s two main components (nirmatrelvir and ritonavir) for a simplified in vivo case. Moreover, in the simulated context of our computational framework, we visualize the importance of early interventions and identify the time window where a unit-length delay causes the highest level of tissue damage. Finally, the results’ sensitivity to the diffusion coefficient of the virus is explored in detail.https://www.mdpi.com/1999-4915/14/5/1103multiscale mathematical modelingspatio-temporal dynamicsagent-based modelSARS-CoV-2Paxlovidvirus diffusion |
| spellingShingle | Ferenc A. Bartha Nóra Juhász Sadegh Marzban Renji Han Gergely Röst In Silico Evaluation of Paxlovid’s Pharmacometrics for SARS-CoV-2: A Multiscale Approach Viruses multiscale mathematical modeling spatio-temporal dynamics agent-based model SARS-CoV-2 Paxlovid virus diffusion |
| title | In Silico Evaluation of Paxlovid’s Pharmacometrics for SARS-CoV-2: A Multiscale Approach |
| title_full | In Silico Evaluation of Paxlovid’s Pharmacometrics for SARS-CoV-2: A Multiscale Approach |
| title_fullStr | In Silico Evaluation of Paxlovid’s Pharmacometrics for SARS-CoV-2: A Multiscale Approach |
| title_full_unstemmed | In Silico Evaluation of Paxlovid’s Pharmacometrics for SARS-CoV-2: A Multiscale Approach |
| title_short | In Silico Evaluation of Paxlovid’s Pharmacometrics for SARS-CoV-2: A Multiscale Approach |
| title_sort | in silico evaluation of paxlovid s pharmacometrics for sars cov 2 a multiscale approach |
| topic | multiscale mathematical modeling spatio-temporal dynamics agent-based model SARS-CoV-2 Paxlovid virus diffusion |
| url | https://www.mdpi.com/1999-4915/14/5/1103 |
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