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Related Experiment Video

Updated: May 25, 2026

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
05:50

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro

Published on: September 26, 2025

In Vitro Analysis and Dynamic Modeling of SARS-CoV-2 Infection Inhibition by Sigma-1 Receptor Antagonist PB28.

Bartek Lisowski1, Veronica V Rezelj2, Marco Vignuzzi3,4,5

  • 1Chair of Pharmaceutical Technology and Biopharmaceutics, Faculty of Pharmacy, Jagiellonian University Medical College, Kraków, Poland.

Bulletin of Mathematical Biology
|May 23, 2026
PubMed
Summary

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This study quantifies the antiviral efficacy of PB28 against SARS-CoV-2 using mechanistic modeling. The compound PB28 was found to reduce viral production in a concentration-dependent manner, aiding drug repurposing efforts.

Area of Science:

  • Virology
  • Pharmacology
  • Computational Biology

Background:

  • Assessing antiviral compounds requires understanding infection dynamics.
  • PB28 is a sigma receptor ligand with potential antiviral properties.

Purpose of the Study:

  • To quantify the antiviral efficacy of PB28 against SARS-CoV-2 in vitro.
  • To utilize mechanistic modeling to characterize PB28's effect on viral dynamics.

Main Methods:

  • Combined mechanistic modeling with in vitro experimental data (viral load measurements).
  • Calibrated a viral dynamics model with a Hill-type inhibitory function.
  • Estimated key viral life-cycle and PB28 action parameters.

Main Results:

  • PB28 reduces SARS-CoV-2 production concentration-dependently with near-linear cooperativity.

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Live Imaging and Quantification of Viral Infection in K18 hACE2 Transgenic Mice Using Reporter-Expressing Recombinant SARS-CoV-2

Published on: November 5, 2021

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Last Updated: May 25, 2026

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
05:50

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro

Published on: September 26, 2025

Live Imaging and Quantification of Viral Infection in K18 hACE2 Transgenic Mice Using Reporter-Expressing Recombinant SARS-CoV-2
08:41

Live Imaging and Quantification of Viral Infection in K18 hACE2 Transgenic Mice Using Reporter-Expressing Recombinant SARS-CoV-2

Published on: November 5, 2021

  • Time-resolved modeling enabled inference of time-dependent IC50 values.
  • IC50 estimates from time-resolved infections were twofold higher than end-point assays.

    • Conclusions:

    • Dynamic modeling facilitates targeted characterization of pharmacodynamic parameters like IC50.
    • This approach is valuable for early-stage drug repurposing screens.
    • PB28 shows promise as an antiviral agent against SARS-CoV-2.