Rational Design of Macrocyclic Noncovalent Inhibitors of SARS-CoV-2 M <sup>pro</sup> from a DNA-Encoded Chemical Library Screening Hit That Demonstrate Potent Inhibition against Pan-Coronavirus Homologues and Nirmatrelvir-Resistant Variants

Xu Wang, Dimitar Gotchev, Kristi Yi Fan, Marvin M. Vega, Nagraj Mani, Kayleigh McGovern-Gooch, Andrea Cuconati, Breanna Tercero, Xiaohe Wang, Philip Carpino, Klaus Maskos, Paolo A. Centrella, Andreas Schmitt, Franziska Preuss, Archna Prasad, Chia-yi Chen, Matthew A. Clark, John P. Guilinger, Shawn Johnstone, Konstanze von König, Anthony D. Keefe, Jenny Liu, Stéphane Turcotte, Ying Zhang, Debora L. Konz Makino, Angela M. Lam, Andrew G. Cole, Michael J. Sofia

Open source

DOI: 10.1021/acs.jmedchem.4c02009
Published: 2024-10-25
Container: Journal of Medicinal Chemistry
Publisher: American Chemical Society (ACS)
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jmedchem.4c02009,
  title = {Rational Design of Macrocyclic Noncovalent Inhibitors of SARS-CoV-2 M
                    <sup>pro</sup>
                    from a DNA-Encoded Chemical Library Screening Hit That Demonstrate Potent Inhibition against Pan-Coronavirus Homologues and Nirmatrelvir-Resistant Variants},
  author = {Xu Wang and Dimitar Gotchev and Kristi Yi Fan and Marvin M. Vega and Nagraj Mani and Kayleigh McGovern-Gooch and Andrea Cuconati and Breanna Tercero and Xiaohe Wang and Philip Carpino and Klaus Maskos and Paolo A. Centrella and Andreas Schmitt and Franziska Preuss and Archna Prasad and Chia-yi Chen and Matthew A. Clark and John P. Guilinger and Shawn Johnstone and Konstanze von König and Anthony D. Keefe and Jenny Liu and Stéphane Turcotte and Ying Zhang and Debora L. Konz Makino and Angela M. Lam and Andrew G. Cole and Michael J. Sofia},
  year = {2024},
  journal = {Journal of Medicinal Chemistry},
  doi = {10.1021/acs.jmedchem.4c02009},
  url = {https://doi.org/10.1021/acs.jmedchem.4c02009}
}

RIS

TY  - JOUR
TI  - Rational Design of Macrocyclic Noncovalent Inhibitors of SARS-CoV-2 M
                    <sup>pro</sup>
                    from a DNA-Encoded Chemical Library Screening Hit That Demonstrate Potent Inhibition against Pan-Coronavirus Homologues and Nirmatrelvir-Resistant Variants
AU  - Xu Wang
AU  - Dimitar Gotchev
AU  - Kristi Yi Fan
AU  - Marvin M. Vega
AU  - Nagraj Mani
AU  - Kayleigh McGovern-Gooch
AU  - Andrea Cuconati
AU  - Breanna Tercero
AU  - Xiaohe Wang
AU  - Philip Carpino
AU  - Klaus Maskos
AU  - Paolo A. Centrella
AU  - Andreas Schmitt
AU  - Franziska Preuss
AU  - Archna Prasad
AU  - Chia-yi Chen
AU  - Matthew A. Clark
AU  - John P. Guilinger
AU  - Shawn Johnstone
AU  - Konstanze von König
AU  - Anthony D. Keefe
AU  - Jenny Liu
AU  - Stéphane Turcotte
AU  - Ying Zhang
AU  - Debora L. Konz Makino
AU  - Angela M. Lam
AU  - Andrew G. Cole
AU  - Michael J. Sofia
PY  - 2024
JO  - Journal of Medicinal Chemistry
DO  - 10.1021/acs.jmedchem.4c02009
UR  - https://doi.org/10.1021/acs.jmedchem.4c02009
ER  -

APA

Wang, X., Gotchev, D., Fan, K. Y., Vega, M. M., Mani, N., McGovern-Gooch, K., Cuconati, A., Tercero, B., Wang, X., Carpino, P., Maskos, K., Centrella, P. A., Schmitt, A., Preuss, F., Prasad, A., Chen, C., Clark, M. A., Guilinger, J. P., Johnstone, S., König, K. V., Keefe, A. D., Liu, J., Turcotte, S., Zhang, Y., Makino, D. L. K., Lam, A. M., Cole, A. G., & Sofia, M. J. (2024). Rational Design of Macrocyclic Noncovalent Inhibitors of SARS-CoV-2 M <sup>pro</sup> from a DNA-Encoded Chemical Library Screening Hit That Demonstrate Potent Inhibition against Pan-Coronavirus Homologues and Nirmatrelvir-Resistant Variants. Journal of Medicinal Chemistry. https://doi.org/10.1021/acs.jmedchem.4c02009

Source records

crossref · retrieved 2026-09-27T06:11:41.298Z