A New Fragment‐Based Pharmacophore Virtual Screening Workflow Identifies Potent Inhibitors of <scp>SARS</scp> ‐ <scp>CoV</scp> ‐2 <scp>NSP13</scp> Helicase

Jordi Doijen, Jiexiong Xie, Simone Marsili, Trpta Bains, Mandeep Kaur Mann, Pravien Abeywickrema, Nick Van den Broeck, Christian Permann, Thierry Langer, Gökhan Ibis, Charles‐Alexandre Mattelaer, Jeremy Harvey, Sebastiaan van Raalte, Roberto Fino, Vineet Pande, Danielle Peeters, Aaron Patrick, Ellen Van Damme, Herman van Vlijmen, Marnix Van Loock, Edgar Jacoby

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DOI: 10.1002/jcc.70201
Published: 2025-09-05
Container: Journal of Computational Chemistry
Publisher: Wiley
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1002/jcc.70201,
  title = {A New Fragment‐Based Pharmacophore Virtual Screening Workflow Identifies Potent Inhibitors of
                    <scp>SARS</scp>
                    ‐
                    <scp>CoV</scp>
                    ‐2
                    <scp>NSP13</scp>
                    Helicase},
  author = {Jordi Doijen and Jiexiong Xie and Simone Marsili and Trpta Bains and Mandeep Kaur Mann and Pravien Abeywickrema and Nick Van den Broeck and Christian Permann and Thierry Langer and Gökhan Ibis and Charles‐Alexandre Mattelaer and Jeremy Harvey and Sebastiaan van Raalte and Roberto Fino and Vineet Pande and Danielle Peeters and Aaron Patrick and Ellen Van Damme and Herman van Vlijmen and Marnix Van Loock and Edgar Jacoby},
  year = {2025},
  journal = {Journal of Computational Chemistry},
  doi = {10.1002/jcc.70201},
  url = {https://doi.org/10.1002/jcc.70201}
}

RIS

TY  - JOUR
TI  - A New Fragment‐Based Pharmacophore Virtual Screening Workflow Identifies Potent Inhibitors of
                    <scp>SARS</scp>
                    ‐
                    <scp>CoV</scp>
                    ‐2
                    <scp>NSP13</scp>
                    Helicase
AU  - Jordi Doijen
AU  - Jiexiong Xie
AU  - Simone Marsili
AU  - Trpta Bains
AU  - Mandeep Kaur Mann
AU  - Pravien Abeywickrema
AU  - Nick Van den Broeck
AU  - Christian Permann
AU  - Thierry Langer
AU  - Gökhan Ibis
AU  - Charles‐Alexandre Mattelaer
AU  - Jeremy Harvey
AU  - Sebastiaan van Raalte
AU  - Roberto Fino
AU  - Vineet Pande
AU  - Danielle Peeters
AU  - Aaron Patrick
AU  - Ellen Van Damme
AU  - Herman van Vlijmen
AU  - Marnix Van Loock
AU  - Edgar Jacoby
PY  - 2025
JO  - Journal of Computational Chemistry
DO  - 10.1002/jcc.70201
UR  - https://doi.org/10.1002/jcc.70201
ER  -

APA

Doijen, J., Xie, J., Marsili, S., Bains, T., Mann, M. K., Abeywickrema, P., Broeck, N. V. D., Permann, C., Langer, T., Ibis, G., Mattelaer, C., Harvey, J., Raalte, S. V., Fino, R., Pande, V., Peeters, D., Patrick, A., Damme, E. V., Vlijmen, H. V., Loock, M. V., & Jacoby, E. (2025). A New Fragment‐Based Pharmacophore Virtual Screening Workflow Identifies Potent Inhibitors of <scp>SARS</scp> ‐ <scp>CoV</scp> ‐2 <scp>NSP13</scp> Helicase. Journal of Computational Chemistry. https://doi.org/10.1002/jcc.70201

Source records

crossref · retrieved 2026-09-25T20:14:42.188Z