Current status of structure-based drug repurposing against COVID-19 by targeting SARS-CoV-2 proteins.

biochemical screening coronavirus drug repositioning protein structure virtual screening

Journal

Biophysics and physicobiology
ISSN: 2189-4779
Titre abrégé: Biophys Physicobiol
Pays: Japan
ID NLM: 101675089

Informations de publication

Date de publication:
2021
Historique:
received: 06 08 2021
accepted: 30 09 2021
entrez: 8 11 2021
pubmed: 9 11 2021
medline: 9 11 2021
Statut: epublish

Résumé

More than one and half years have passed, as of August 2021, since the COVID-19 caused by the novel coronavirus named SARS-CoV-2 emerged in 2019. While the recent success of vaccine developments likely reduces the severe cases, there is still a strong requirement of safety and effective therapeutic drugs for overcoming the unprecedented situation. Here we review the recent progress and the status of the drug discovery against COVID-19 with emphasizing a structure-based perspective. Structural data regarding the SARS-CoV-2 proteome has been rapidly accumulated in the Protein Data Bank, and up to 68% of the total amino acid residues encoded in the genome were covered by the structural data. Despite a global effort of

Identifiants

pubmed: 34745807
doi: 10.2142/biophysico.bppb-v18.025
pii: JST.JSTAGE/biophysico/bppb-v18.025
pmc: PMC8550875
doi:

Types de publication

Journal Article

Langues

eng

Pagination

226-240

Informations de copyright

2021 THE BIOPHYSICAL SOCIETY OF JAPAN.

Références

Nucleic Acids Res. 2017 Jan 4;45(D1):D282-D288
pubmed: 27789697
Mol Inform. 2021 Jan;40(1):e2000115
pubmed: 32722864
J Comput Chem. 2021 May 15;42(13):897-907
pubmed: 33713492
Sci Adv. 2021 Apr 14;7(16):
pubmed: 33853786
Molecules. 2021 Mar 07;26(5):
pubmed: 33800013
EMBO J. 2020 Sep 15;39(18):e106275
pubmed: 32845033
Nat Commun. 2020 Sep 4;11(1):4417
pubmed: 32887884
Nucleic Acids Res. 2019 Jan 8;47(D1):D520-D528
pubmed: 30357364
N Engl J Med. 2021 Feb 11;384(6):497-511
pubmed: 33264556
Biochem J. 2021 Jul 16;478(13):2425-2443
pubmed: 34198323
Antimicrob Agents Chemother. 2020 Jun 23;64(7):
pubmed: 32366720
Commun Biol. 2021 Feb 9;4(1):193
pubmed: 33564093
Front Mol Biosci. 2021 Jun 09;8:637378
pubmed: 34179072
Nucleic Acids Res. 2021 Jan 8;49(D1):D1388-D1395
pubmed: 33151290
Proteins. 2021 Nov;89(11):1425-1441
pubmed: 34169568
Lancet. 2020 Feb 15;395(10223):470-473
pubmed: 31986257
Mol Divers. 2021 Jun 12;:
pubmed: 34117992
J Med Microbiol. 2020 Jun;69(6):864-873
pubmed: 32469301
Crit Care. 2020 Apr 7;24(1):133
pubmed: 32264963
Trials. 2021 Apr 28;22(1):309
pubmed: 33910617
Science. 2021 Jul 30;373(6554):541-547
pubmed: 34326236
J Phys Chem Lett. 2020 Jul 2;11(13):5373-5382
pubmed: 32543196
JAMA. 2020 Dec 1;324(21):2165-2176
pubmed: 33165621
J Med Chem. 2020 Nov 12;63(21):12725-12747
pubmed: 33054210
Biomolecules. 2021 Apr 14;11(4):
pubmed: 33919870
Nat Struct Mol Biol. 2021 Mar;28(3):319-325
pubmed: 33674802
Int J Biol Macromol. 2020 Nov 15;163:1787-1797
pubmed: 32950529
Sci Rep. 2018 Mar 12;8(1):4329
pubmed: 29531263
Nat Prod Res. 2017 Jun;31(11):1228-1236
pubmed: 27681445
Nat Rev Microbiol. 2021 Mar;19(3):155-170
pubmed: 33116300
Biophys Rev. 2020 Apr;12(2):371-375
pubmed: 32026396
Biochem J. 2021 Jul 16;478(13):2405-2423
pubmed: 34198322
Acta Pharmacol Sin. 2020 Sep;41(9):1167-1177
pubmed: 32737471
J Biomol Struct Dyn. 2021 Aug;39(13):4582-4593
pubmed: 32567979
Biochem J. 2021 Jul 16;478(13):2481-2497
pubmed: 34198328
J Enzyme Inhib Med Chem. 2020 Dec;35(1):1539-1544
pubmed: 32746637
Nature. 2021 Aug;596(7873):583-589
pubmed: 34265844
Proc Natl Acad Sci U S A. 2018 Oct 16;115(42):10750-10755
pubmed: 30282735
ACS Med Chem Lett. 2021 Jun 09;12(7):1102-1107
pubmed: 34257831
PLoS One. 2021 Apr 22;16(4):e0250019
pubmed: 33886614
PLoS One. 2021 May 13;16(5):e0251801
pubmed: 33984041
Nat Commun. 2021 Jan 12;12(1):279
pubmed: 33436624
Virus Res. 2020 Jul 15;284:197989
pubmed: 32360300
Plant Cell Physiol. 2012 Feb;53(2):e1
pubmed: 22123792
J Biomol Struct Dyn. 2021 May;39(8):2980-2992
pubmed: 32306862
J Biomol Struct Dyn. 2021 Aug;39(12):4201-4211
pubmed: 32462970
Nat Med. 2017 Apr 7;23(4):405-408
pubmed: 28388612
Eur Rev Med Pharmacol Sci. 2020 Apr;24(8):4529-4536
pubmed: 32373991
Antiviral Res. 2020 Jun;178:104787
pubmed: 32251768
iScience. 2021 Apr 23;24(4):102367
pubmed: 33817567
Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954
pubmed: 27899562
Future Med Chem. 2021 Aug;13(16):1353-1366
pubmed: 34169729
FEBS Lett. 2020 Jun;594(12):1960-1973
pubmed: 32379896
Curr Opin Virol. 2021 Aug;49:36-40
pubmed: 34029993
PLoS Pathog. 2011 May;7(5):e1002059
pubmed: 21637813
Nat Commun. 2020 Jul 24;11(1):3718
pubmed: 32709886
P T. 2016 May;41(5):314-25
pubmed: 27162472
Nat Rev Microbiol. 2011 Dec 05;10(1):51-65
pubmed: 22138959
Science. 2020 Jun 26;368(6498):1499-1504
pubmed: 32358203
Proc Natl Acad Sci U S A. 2008 Oct 21;105(42):16119-24
pubmed: 18852458
Life (Basel). 2021 Jun 17;11(6):
pubmed: 34204549
Life Sci. 2020 Oct 15;259:118169
pubmed: 32738360
Sci Signal. 2020 Sep 29;13(651):
pubmed: 32994211
J Chem Inf Model. 2015 Nov 23;55(11):2324-37
pubmed: 26479676
Nature. 2020 Jun;582(7811):289-293
pubmed: 32272481
J Adv Pharm Technol Res. 2021 Apr-Jun;12(2):120-126
pubmed: 34159141
Sci Transl Med. 2021 May 12;13(593):
pubmed: 33820835
J Antibiot (Tokyo). 2019 Dec;72(12):981-985
pubmed: 31534199
Biochem J. 2021 Jul 16;478(13):2465-2479
pubmed: 34198324
Chem Soc Rev. 2013 Mar 7;42(5):2130-41
pubmed: 23288298
J Virol. 2012 Nov;86(21):11754-62
pubmed: 22915796
J Nat Prod. 2017 Jul 28;80(7):2067-2076
pubmed: 28641017
J Pharm Anal. 2021 Jun;11(3):272-277
pubmed: 32923004
Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082
pubmed: 29126136
J Biomol Struct Dyn. 2021 Oct;39(17):6772-6791
pubmed: 32752938
Nature. 2020 Jul;583(7816):459-468
pubmed: 32353859
Nat Commun. 2021 Jan 20;12(1):488
pubmed: 33473130
Biochem J. 2021 Jul 16;478(13):2445-2464
pubmed: 34198326
Antimicrob Agents Chemother. 2020 Jul 22;64(8):
pubmed: 32513797
J Proteins Proteom. 2021 Mar 23;:1-10
pubmed: 33776343
Nat Commun. 2020 Oct 7;11(1):5047
pubmed: 33028810
Nature. 2020 Mar;579(7798):265-269
pubmed: 32015508
Science. 2020 Dec 4;370(6521):
pubmed: 33060197

Auteurs

Atsushi Hijikata (A)

Faculty of Bioscience, Nagahama Institute of Bio-Science and Technology, Nagahama, Shiga 526-0829, Japan.

Clara Shionyu (C)

Faculty of Bioscience, Nagahama Institute of Bio-Science and Technology, Nagahama, Shiga 526-0829, Japan.

Setsu Nakae (S)

Faculty of Bioscience, Nagahama Institute of Bio-Science and Technology, Nagahama, Shiga 526-0829, Japan.

Masafumi Shionyu (M)

Faculty of Bioscience, Nagahama Institute of Bio-Science and Technology, Nagahama, Shiga 526-0829, Japan.

Motonori Ota (M)

Department of Complex Systems Science, Graduate School of Informatics, Nagoya University, Nagoya, Aichi 464-8601, Japan.

Shigehiko Kanaya (S)

Computational Biology Lab. Division of Information Science, Graduate School of Science and Technology, Nara Institute of Science and Technology (NAIST), Ikoma, Nara 630-0192, Japan.

Tsuyoshi Shirai (T)

Faculty of Bioscience, Nagahama Institute of Bio-Science and Technology, Nagahama, Shiga 526-0829, Japan.

Classifications MeSH