Computationally driven discovery of SARS-CoV-2 M
Journal
Chemical science
ISSN: 2041-6520
Titre abrégé: Chem Sci
Pays: England
ID NLM: 101545951
Informations de publication
Date de publication:
30 Mar 2022
30 Mar 2022
Historique:
received:
25
10
2021
accepted:
03
02
2022
entrez:
18
4
2022
pubmed:
19
4
2022
medline:
19
4
2022
Statut:
epublish
Résumé
We report a fast-track computationally driven discovery of new SARS-CoV-2 main protease (M
Identifiants
pubmed: 35432906
doi: 10.1039/d1sc05892d
pii: d1sc05892d
pmc: PMC8966641
doi:
Types de publication
Journal Article
Langues
eng
Pagination
3674-3687Informations de copyright
This journal is © The Royal Society of Chemistry.
Déclaration de conflit d'intérêts
P. R., M. M., L. L., J. W. P. and J.-P. P. are co-founders and shareholders of Qubit Pharmaceuticals.
Références
Phys Chem Chem Phys. 2008 Nov 28;10(44):6615-20
pubmed: 18989472
Cell Res. 2020 Aug;30(8):678-692
pubmed: 32541865
Chem Sci. 2021 Sep 6;12(41):13686-13703
pubmed: 34760153
J Chem Theory Comput. 2013;9(9):4046-4063
pubmed: 24163642
Science. 2020 Apr 24;368(6489):409-412
pubmed: 32198291
Nature. 2020 Jun;582(7811):289-293
pubmed: 32272481
Proc Natl Acad Sci U S A. 2008 Apr 29;105(17):6290-5
pubmed: 18427113
Nature. 2020 Mar;579(7798):270-273
pubmed: 32015507
J Biomol NMR. 2021 May;75(4-5):167-178
pubmed: 33856612
J Chem Inf Model. 2021 Jun 28;61(6):2957-2966
pubmed: 34047191
Chem Commun (Camb). 2021 Jun 15;57(48):5909-5912
pubmed: 34008627
J Mol Graph Model. 2008 Sep;27(2):170-7
pubmed: 18524655
J Chem Inf Model. 2008 Jan;48(1):1-24
pubmed: 18183967
Anal Biochem. 1999 Feb 15;267(2):331-5
pubmed: 10036138
Front Mol Biosci. 2019 Dec 04;6:143
pubmed: 31867342
ACS Chem Biol. 2016 Aug 19;11(8):2265-74
pubmed: 27267810
J Phys Chem B. 2018 Jun 21;122(24):6371-6376
pubmed: 29807433
J Comput Chem. 2013 May 15;34(13):1125-35
pubmed: 23386428
ACS Cent Sci. 2021 Mar 24;7(3):467-475
pubmed: 33786375
Nature. 2021 Jun;594(7863):330-332
pubmed: 34127864
Chem Sci. 2020 Nov 27;12(4):1433-1444
pubmed: 34163906
J Chem Theory Comput. 2018 Oct 9;14(10):5273-5289
pubmed: 30176213
Nature. 2021 Nov;599(7885):358-359
pubmed: 34759341
J Comput Chem. 2009 Dec;30(16):2785-91
pubmed: 19399780
J Comput Aided Mol Des. 2021 Jan;35(1):79-93
pubmed: 33140208
Chem Soc Rev. 2021 Aug 21;50(16):9121-9151
pubmed: 34212944
Chem Sci. 2017 Nov 27;9(4):956-972
pubmed: 29732110
J Chem Theory Comput. 2021 Apr 13;17(4):2034-2053
pubmed: 33755446
J Med Chem. 2022 Feb 24;65(4):2716-2746
pubmed: 33186044
ACS Med Chem Lett. 2021 Jul 14;12(8):1325-1332
pubmed: 34408808
J Med Chem. 2009 Jul 23;52(14):4454-65
pubmed: 19527033
J Biomol NMR. 2001 Dec;21(4):349-59
pubmed: 11824754
Nat Commun. 2020 Jun 24;11(1):3202
pubmed: 32581217
J Chem Theory Comput. 2017 Sep 12;13(9):4025-4033
pubmed: 28759205
J Chem Inf Model. 2021 Aug 23;61(8):4082-4096
pubmed: 34348021
J Phys Chem B. 2014 Jun 19;118(24):6456-65
pubmed: 24484473
Chem Sci. 2021 Jun 2;12(25):8920-8930
pubmed: 34257893
J Phys Chem B. 2010 Mar 4;114(8):2549-64
pubmed: 20136072
Proc Natl Acad Sci U S A. 2020 Nov 3;117(44):27381-27387
pubmed: 33051297
J Chem Inf Model. 2021 Apr 26;61(4):2062-2073
pubmed: 33784094
ACS Pharmacol Transl Sci. 2021 Mar 16;4(3):1079-1095
pubmed: 34136757
J Phys Chem B. 2012 Feb 9;116(5):1716-27
pubmed: 22214214
J Comput Chem. 2010 Jan 30;31(2):455-61
pubmed: 19499576
Biophys J. 2015 Oct 20;109(8):1528-32
pubmed: 26488642
ACS Med Chem Lett. 2021 Sep 29;13(1):140-147
pubmed: 35043075
J Med Chem. 2020 May 14;63(9):4562-4578
pubmed: 32045235
J Chem Theory Comput. 2018 Apr 10;14(4):2084-2108
pubmed: 29438622
J Phys Chem Lett. 2021 Jul 8;12(26):6218-6226
pubmed: 34196568
Sci Data. 2019 Aug 8;6(1):143
pubmed: 31395888
J Chem Theory Comput. 2021 Feb 9;17(2):1060-1073
pubmed: 33403848
Chem Sci. 2020 Jun 25;11(39):10626-10630
pubmed: 34094317
Nature. 2020 Oct;586(7830):516-527
pubmed: 32967006
J Chem Inf Model. 2017 Dec 26;57(12):2911-2937
pubmed: 29243483
J Phys Chem Lett. 2019 May 16;10(10):2593-2599
pubmed: 31050904
PLoS Biol. 2005 Oct;3(10):e324
pubmed: 16128623
J Am Chem Soc. 2002 Sep 4;124(35):10613-20
pubmed: 12197764
J Chem Theory Comput. 2015 Jun 9;11(6):2589-99
pubmed: 26575557
Chem Sci. 2019 Jun 11;10(30):7200-7211
pubmed: 31588288
Angew Chem Int Ed Engl. 2021 Apr 26;60(18):10423-10429
pubmed: 33655614
J Chem Inf Model. 2021 Sep 27;61(9):4745-4757
pubmed: 34403259
ACS Catal. 2022 Jan 7;12(1):698-708
pubmed: 35036042
J Med Chem. 2006 Oct 5;49(20):5912-31
pubmed: 17004707
ACS Med Chem Lett. 2020 Oct 25;11(12):2526-2533
pubmed: 33324471
Chem Sci. 2021 Feb 2;12(13):4889-4907
pubmed: 34168762
J Chem Phys. 2013 Jul 7;139(1):015102
pubmed: 23822324
Nat Commun. 2020 Oct 7;11(1):5047
pubmed: 33028810
Angew Chem Int Ed Engl. 2021 Sep 13;60(38):20849-20857
pubmed: 34296498
Nature. 2020 Mar;579(7798):265-269
pubmed: 32015508
J Chem Theory Comput. 2015 Nov 10;11(11):5525-42
pubmed: 26574340