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Article

In Silico Evaluation of Paxlovid’s Pharmacometrics for SARS-CoV-2: A Multiscale Approach

1
Bolyai Institute, University of Szeged, H-6720 Szeged, Hungary
2
School of Sciences, Zhejiang University of Science and Technology, Hangzhou 310023, China
*
Authors to whom correspondence should be addressed.
Academic Editors: Amber M. Smith and Ruian Ke
Viruses 2022, 14(5), 1103; https://doi.org/10.3390/v14051103
Received: 22 April 2022 / Revised: 14 May 2022 / Accepted: 17 May 2022 / Published: 20 May 2022
(This article belongs to the Collection Mathematical Modeling of Viral Infection)
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. View Full-Text
Keywords: multiscale mathematical modeling; spatio-temporal dynamics; agent-based model; SARS-CoV-2; Paxlovid; virus diffusion multiscale mathematical modeling; spatio-temporal dynamics; agent-based model; SARS-CoV-2; Paxlovid; virus diffusion
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MDPI and ACS Style

Bartha, F.A.; Juhász, N.; Marzban, S.; Han, R.; Röst, G. In Silico Evaluation of Paxlovid’s Pharmacometrics for SARS-CoV-2: A Multiscale Approach. Viruses 2022, 14, 1103. https://doi.org/10.3390/v14051103

AMA Style

Bartha FA, Juhász N, Marzban S, Han R, Röst G. In Silico Evaluation of Paxlovid’s Pharmacometrics for SARS-CoV-2: A Multiscale Approach. Viruses. 2022; 14(5):1103. https://doi.org/10.3390/v14051103

Chicago/Turabian Style

Bartha, Ferenc A., Nóra Juhász, Sadegh Marzban, Renji Han, and Gergely Röst. 2022. "In Silico Evaluation of Paxlovid’s Pharmacometrics for SARS-CoV-2: A Multiscale Approach" Viruses 14, no. 5: 1103. https://doi.org/10.3390/v14051103

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