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Drug-induced phospholipidosis confounds drug repurposing for SARS-CoV-2.
Science. 2021 Jul 30;373(6554):541-547. doi: 10.1126/science.abi4708. Epub 2021 Jun 22.
Science. 2021.
PMID: 34326236
Free PMC article.
A Crowding Barrier to Protein Inhibition in Colloidal Aggregates.
Lak P, O'Donnell H, Du X, Jacobson MP, Shoichet BK.
Lak P, et al.
J Med Chem. 2021 Apr 8;64(7):4109-4116. doi: 10.1021/acs.jmedchem.0c02253. Epub 2021 Mar 24.
J Med Chem. 2021.
PMID: 33761256
Free PMC article.
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Colloidal Aggregators in Biochemical SARS-CoV-2 Repurposing Screens.
O'Donnell HR, Tummino TA, Bardine C, Craik CS, Shoichet BK.
O'Donnell HR, et al.
J Med Chem. 2021 Dec 9;64(23):17530-17539. doi: 10.1021/acs.jmedchem.1c01547. Epub 2021 Nov 23.
J Med Chem. 2021.
PMID: 34812616
Free PMC article.
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Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Fink EA, Bardine C, Gahbauer S, Singh I, Detomasi TC, White K, Gu S, Wan X, Chen J, Ary B, Glenn I, O'Connell J, O'Donnell H, Fajtová P, Lyu J, Vigneron S, Young NJ, Kondratov IS, Alisoltani A, Simons LM, Lorenzo-Redondo R, Ozer EA, Hultquist JF, O'Donoghue AJ, Moroz YS, Taunton J, Renslo AR, Irwin JJ, García-Sastre A, Shoichet BK, Craik CS.
Fink EA, et al.
Protein Sci. 2023 Aug;32(8):e4712. doi: 10.1002/pro.4712.
Protein Sci. 2023.
PMID: 37354015
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Structure-Based Design of a Chemical Probe Set for the 5-HT5A Serotonin Receptor.
Levit Kaplan A, Strachan RT, Braz JM, Craik V, Slocum S, Mangano T, Amabo V, O'Donnell H, Lak P, Basbaum AI, Roth BL, Shoichet BK.
Levit Kaplan A, et al.
J Med Chem. 2022 Mar 10;65(5):4201-4217. doi: 10.1021/acs.jmedchem.1c02031. Epub 2022 Feb 23.
J Med Chem. 2022.
PMID: 35195401
Free PMC article.
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Structure-based discovery of conformationally selective inhibitors of the serotonin transporter.
Singh I, Seth A, Billesbølle CB, Braz J, Rodriguiz RM, Roy K, Bekele B, Craik V, Huang XP, Boytsov D, Pogorelov VM, Lak P, O'Donnell H, Sandtner W, Irwin JJ, Roth BL, Basbaum AI, Wetsel WC, Manglik A, Shoichet BK, Rudnick G.
Singh I, et al.
Cell. 2023 May 11;186(10):2160-2175.e17. doi: 10.1016/j.cell.2023.04.010. Epub 2023 May 2.
Cell. 2023.
PMID: 37137306
Free PMC article.
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Phospholipidosis is a shared mechanism underlying the in vitro antiviral activity of many repurposed drugs against SARS-CoV-2.
Tummino TA, Rezelj VV, Fischer B, Fischer A, O'Meara MJ, Monel B, Vallet T, Zhang Z, Alon A, O'Donnell HR, Lyu J, Schadt H, White KM, Krogan NJ, Urban L, Shokat KM, Kruse AC, García-Sastre A, Schwartz O, Moretti F, Vignuzzi M, Pognan F, Shoichet BK.
Tummino TA, et al. Among authors: o donnell hr.
bioRxiv [Preprint]. 2021 Mar 24:2021.03.23.436648. doi: 10.1101/2021.03.23.436648.
bioRxiv. 2021.
PMID: 33791693
Free PMC article.
Preprint.
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