SARS-CoV-2 3CL-protease inhibitors derived from ML300: investigation of P1 and replacements of the 1,2,3-benzotriazole

Hooper, Alice; Macdonald, Jonathan D.; Reilly, Brenna; Maw, Joshua; Wirrick, Aidan P.; Han, Sang Hoon; Lindsey, A. Abigail; Rico, Emma G.; Romigh, Todd; Goins, Christopher M.; Wang, Nancy S.; Stauffer, Shaun R.

doi:10.1007/s00044-023-03108-9

SARS-CoV-2 3CL-protease inhibitors derived from ML300: investigation of P1 and replacements of the 1,2,3-benzotriazole

Journal Article · 01 July 2023 · Medicinal Chemistry Research

DOI:https://doi.org/10.1007/s00044-023-03108-9· OSTI ID:2423598

Hooper, Alice; Macdonald, Jonathan D.; Reilly, Brenna; Maw, Joshua; Wirrick, Aidan P.; Han, Sang Hoon; Lindsey, A. Abigail; Rico, Emma G.; Romigh, Todd; Goins, Christopher M.; Wang, Nancy S.;

Not provided.

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC02-06CH11357

OSTI ID:: 2423598

Journal Information:: Medicinal Chemistry Research, Journal Name: Medicinal Chemistry Research Journal Issue: 7 Vol. 32; ISSN 1054-2523

Publisher:: Springer

Country of Publication:: United States

Language:: English

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Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations Zhang, Chun-Hui; Stone, Elizabeth A.; Deshmukh, Maya ACS Central Science, Vol. 7, Issue 3 https://doi.org/10.1021/acscentsci.1c00039	journal	February 2021
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