Glycoinformatics in the Artificial Intelligence Era.


Journal

Chemical reviews
ISSN: 1520-6890
Titre abrégé: Chem Rev
Pays: United States
ID NLM: 2985134R

Informations de publication

Date de publication:
26 10 2022
Historique:
pubmed: 13 8 2022
medline: 28 10 2022
entrez: 12 8 2022
Statut: ppublish

Résumé

Artificial intelligence (AI) methods have been and are now being increasingly integrated in prediction software implemented in bioinformatics and its glycoscience branch known as glycoinformatics. AI techniques have evolved in the past decades, and their applications in glycoscience are not yet widespread. This limited use is partly explained by the peculiarities of glyco-data that are notoriously hard to produce and analyze. Nonetheless, as time goes, the accumulation of glycomics, glycoproteomics, and glycan-binding data has reached a point where even the most recent deep learning methods can provide predictors with good performance. We discuss the historical development of the application of various AI methods in the broader field of glycoinformatics. A particular focus is placed on shining a light on challenges in glyco-data handling, contextualized by lessons learnt from related disciplines. Ending on the discussion of state-of-the-art deep learning approaches in glycoinformatics, we also envision the future of glycoinformatics, including development that need to occur in order to truly unleash the capabilities of glycoscience in the systems biology era.

Identifiants

pubmed: 35961636
doi: 10.1021/acs.chemrev.2c00110
pmc: PMC9615983
doi:

Substances chimiques

Polysaccharides 0

Types de publication

Journal Article Review Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

15971-15988

Références

Nucleic Acids Res. 2021 Jan 8;49(D1):D1529-D1533
pubmed: 33125071
Protein J. 2019 Jun;38(3):200-216
pubmed: 31119599
EMBO J. 2013 May 15;32(10):1478-88
pubmed: 23584533
Bioinformatics. 2020 Apr 15;36(8):2438-2442
pubmed: 31841142
Nucleic Acids Res. 2019 Jan 8;47(D1):D1102-D1109
pubmed: 30371825
Acc Chem Res. 2009 Jun 16;42(6):788-97
pubmed: 19361192
Curr Protoc. 2021 Nov;1(11):e305
pubmed: 34826352
Chem Rev. 2018 Sep 12;118(17):8005-8024
pubmed: 30091597
Molecules. 2021 Dec 02;26(23):
pubmed: 34885895
Chem Rev. 2022 Oct 26;122(20):15914-15970
pubmed: 35786859
Glycobiology. 2021 Nov 18;31(10):1240-1244
pubmed: 34192308
Nucleic Acids Res. 2015 Jan;43(Database issue):D459-64
pubmed: 25332395
Glycobiology. 2016 Nov 22;27(4):280-284
pubmed: 27993942
J Chem Inf Model. 2014 Jun 23;54(6):1558-66
pubmed: 24897372
Glycobiology. 2012 Nov;22(11):1440-52
pubmed: 22798492
Biochem Soc Trans. 2021 Aug 27;49(4):1643-1662
pubmed: 34282822
Glycobiology. 2014 May;24(5):402-6
pubmed: 24653214
J Proteome Res. 2016 Oct 7;15(10):3916-3928
pubmed: 27523326
Chem Rev. 2022 Oct 26;122(20):15865-15913
pubmed: 35797639
J Proteomics. 2013 Jun 12;84:1-16
pubmed: 23568021
Drug Discov Today Technol. 2020 Dec;37:1-12
pubmed: 34895648
Anal Chem. 2021 Nov 16;93(45):15175-15182
pubmed: 34723506
Nat Commun. 2019 Jul 22;10(1):3275
pubmed: 31332201
J Proteome Res. 2019 Sep 6;18(9):3532-3537
pubmed: 31310539
IEEE Trans Neural Netw Learn Syst. 2021 Jan;32(1):4-24
pubmed: 32217482
Glycobiology. 2019 Aug 20;29(9):620-624
pubmed: 31184695
Glycobiology. 2015 Dec;25(12):1323-4
pubmed: 26543186
Beilstein J Org Chem. 2012;8:915-29
pubmed: 23015842
Cancers (Basel). 2020 Dec 09;12(12):
pubmed: 33317143
Adv Sci (Weinh). 2022 Jan;9(1):e2103807
pubmed: 34862760
Metab Eng Commun. 2020 May 15;10:e00131
pubmed: 32489858
J Am Chem Soc. 2019 Sep 18;141(37):14463-14479
pubmed: 31403778
Nat Rev Mol Cell Biol. 2022 Jan;23(1):40-55
pubmed: 34518686
Nat Methods. 2022 Jun;19(6):675-678
pubmed: 35637305
Nucleic Acids Res. 2016 Jan 4;44(D1):D1214-9
pubmed: 26467479
Elife. 2020 Apr 01;9:
pubmed: 32234211
Nucleic Acids Res. 2016 Jan 4;44(D1):D1237-42
pubmed: 26476458
Nat Methods. 2022 Jun;19(6):679-682
pubmed: 35637307
Genome Biol. 2006;7(8):R73
pubmed: 16901351
Bioinformatics. 2019 Oct 15;35(20):4140-4146
pubmed: 30903686
Carbohydr Res. 2008 Aug 11;343(12):2162-71
pubmed: 18436199
Glycobiology. 2017 Oct 1;27(10):915-919
pubmed: 28922742
Nat Commun. 2021 Sep 27;12(1):5656
pubmed: 34580305
Nat Rev Genet. 2022 Mar;23(3):169-181
pubmed: 34837041
Proteomics. 2004 Jun;4(6):1633-49
pubmed: 15174133
Beilstein J Org Chem. 2021 Jul 22;17:1712-1724
pubmed: 34367349
Chem Sci. 2022 May 16;13(22):6669-6686
pubmed: 35756507
Mol Cell Proteomics. 2020 Oct;19(10):1602-1618
pubmed: 32636234
Angew Chem Int Ed Engl. 2018 Nov 12;57(46):14986-14990
pubmed: 29786940
Nat Biotechnol. 2022 Jul;40(7):1023-1025
pubmed: 34980915
Sci Rep. 2020 Jan 15;10(1):318
pubmed: 31941975
Glycobiology. 2020 Jan 28;30(2):72-73
pubmed: 31616925
Sci Data. 2016 Mar 15;3:160018
pubmed: 26978244
Bioinformatics. 2014 Jul 1;30(13):1908-16
pubmed: 24618467
Protein Eng. 1997 Jan;10(1):1-6
pubmed: 9051728
FASEB J. 2017 Oct;31(10):4623-4635
pubmed: 28679530
Proteomics. 2013 Jan;13(2):341-54
pubmed: 23175233
Chimia (Aarau). 2011;65(1-2):10-3
pubmed: 21469437
Beilstein J Org Chem. 2021 Nov 9;17:2726-2728
pubmed: 34858527
Proc Natl Acad Sci U S A. 1952 Aug;38(8):716-9
pubmed: 16589166
Trends Biochem Sci. 1989 Dec;14(12):475-7
pubmed: 2623761
Nat Methods. 2007 Nov;4(11):923-5
pubmed: 17952086
BMC Bioinformatics. 2008 Nov 27;9:500
pubmed: 19038042
Sci Rep. 2019 Nov 4;9(1):15975
pubmed: 31685900
Glycobiology. 2022 Jun 13;32(7):552-555
pubmed: 35352122
Nat Methods. 2019 Dec;16(12):1315-1322
pubmed: 31636460
J Biomol Struct Dyn. 1989 Jun;6(6):1123-33
pubmed: 2818859
Mol Cell Proteomics. 2012 Feb;11(2):M111.012161
pubmed: 22052992
Glycobiology. 2006 May;16(5):82R-90R
pubmed: 16478800
Nature. 2021 Aug;596(7873):583-589
pubmed: 34265844
Curr Opin Struct Biol. 2005 Oct;15(5):517-24
pubmed: 16143513
J Mol Biol. 1970 Mar;48(3):443-53
pubmed: 5420325
Dev Dyn. 2018 Mar;247(3):481-491
pubmed: 28722313
Nat Struct Mol Biol. 2021 Nov;28(11):869-870
pubmed: 34716446
Mol Cell Proteomics. 2021;20:100042
pubmed: 33372048
Proc Natl Acad Sci U S A. 1989 Jan;86(1):152-6
pubmed: 2911565
J Proteome Res. 2019 Feb 1;18(2):664-677
pubmed: 30574787
Bioinformatics. 2015 May 1;31(9):1411-9
pubmed: 25568279
J Chem Inf Model. 2019 Aug 26;59(8):3370-3388
pubmed: 31361484
Bioinformatics. 2020 Mar 1;36(6):1896-1901
pubmed: 31688925
Nucleic Acids Res. 2022 Jan 7;50(D1):D20-D26
pubmed: 34850941
Cell Host Microbe. 2021 Jan 13;29(1):132-144.e3
pubmed: 33120114
Molecules. 2021 Dec 23;27(1):
pubmed: 35011294
J Proteome Res. 2019 Feb 1;18(2):770-774
pubmed: 30179493
BMC Bioinformatics. 2007 Nov 09;8:438
pubmed: 17996106
Nucleic Acids Res. 2021 Jan 8;49(D1):D325-D334
pubmed: 33290552
Brief Bioinform. 2019 Sep 27;20(5):1878-1912
pubmed: 30084866
Nat Methods. 2019 Jun;16(6):519-525
pubmed: 31133761
Mol Cell Proteomics. 2015 Aug;14(8):2103-10
pubmed: 25995273
Nat Biotechnol. 2018 Dec 03;:
pubmed: 30531897
Nat Biotechnol. 2019 Apr;37(4):420-423
pubmed: 30778233
PLoS Comput Biol. 2017 Jan 5;13(1):e1005324
pubmed: 28056090
J Mol Biol. 1988 Aug 20;202(4):865-84
pubmed: 3172241
Eur J Microbiol Immunol (Bp). 2021 Dec 15;11(4):77-86
pubmed: 34908533
Adv Exp Med Biol. 2018;1104:59-76
pubmed: 30484244
Beilstein J Org Chem. 2020 Oct 2;16:2448-2468
pubmed: 33082879
Front Mol Biosci. 2021 Sep 22;8:755577
pubmed: 34631801
Nucleic Acids Res. 1999 Jan 1;27(1):49-54
pubmed: 9847139
Annu Rev Biochem. 2012;81:379-405
pubmed: 22439968
PLoS One. 2013 Jun 28;8(6):e67008
pubmed: 23840574
ACS Chem Biol. 2012 May 18;7(5):829-34
pubmed: 22373368
Bioinformatics. 2019 Jul 15;35(14):2434-2440
pubmed: 30535258
Sci Adv. 2021 Feb 19;7(8):
pubmed: 33608275
Chem Rev. 2017 Jun 28;117(12):7673-7761
pubmed: 28475312
Science. 2021 Dec 17;374(6574):1509-1513
pubmed: 34735217
Bioinformatics. 2007 May 15;23(10):1211-6
pubmed: 17344232
PLoS Comput Biol. 2021 Oct 6;17(10):e1009470
pubmed: 34613971
Nat Chem. 2021 May;13(5):480-487
pubmed: 33723379
Nucleic Acids Res. 2022 Jan 7;50(D1):D571-D577
pubmed: 34850161
iScience. 2021 Jul 17;24(8):102882
pubmed: 34401666
Nature. 2022 Feb;602(7895):142-147
pubmed: 35082445
Protein Eng. 2001 Nov;14(11):835-43
pubmed: 11742102
Proteomics. 2012 Nov;12(22):3315-27
pubmed: 23001782
IEEE/ACM Trans Comput Biol Bioinform. 2015 Nov-Dec;12(6):1267-74
pubmed: 26671799
ACS Chem Biol. 2022 Jan 27;:
pubmed: 35084820
Chem Rev. 2022 Apr 27;122(8):7840-7908
pubmed: 34491038
Nat Methods. 2019 Jun;16(6):509-518
pubmed: 31133760
Electrophoresis. 1998 Aug;19(11):1941-9
pubmed: 9740054
Trends Biochem Sci. 2021 Apr;46(4):284-300
pubmed: 33349503
Proc Natl Acad Sci U S A. 2021 Apr 13;118(15):
pubmed: 33876751
J Proteomics. 2015 Nov 3;129:63-70
pubmed: 26141507
Eur J Biochem. 1986 Aug 15;159(1):1-6
pubmed: 3743566
Beilstein J Org Chem. 2020 Dec 11;16:3038-3051
pubmed: 33363672
Clin Proteomics. 2019 Sep 07;16:35
pubmed: 31516400
Nucleic Acids Res. 2021 Jan 8;49(D1):D480-D489
pubmed: 33237286
Int J Cancer. 2021 Aug 1;149(3):717-727
pubmed: 33729545
Proteomics. 2004 Sep;4(9):2594-601
pubmed: 15352234
Biochem J. 1983 Feb 1;209(2):331-6
pubmed: 6847620
Nat Commun. 2019 Nov 28;10(1):5416
pubmed: 31780648
Nat Methods. 2021 Nov;18(11):1304-1316
pubmed: 34725484
Nat Methods. 2019 Jan;16(1):63-66
pubmed: 30573815
Bioinformatics. 2018 Jun 15;34(12):2029-2036
pubmed: 29420699
Curr Opin Biotechnol. 2021 Oct;71:9-17
pubmed: 34048995
Proteomics. 2006 Oct;6(20):5445-66
pubmed: 16991192
BMC Bioinformatics. 2011 Apr 06;12:91
pubmed: 21466708
Front Chem. 2019 Dec 13;7:833
pubmed: 31921763
J Biol Chem. 2021 Jan-Jun;296:100448
pubmed: 33617880
Nucleic Acids Res. 2021 Jan 8;49(D1):D1523-D1528
pubmed: 33174597
Nat Biotechnol. 2004 Feb;22(2):214-9
pubmed: 14730315
Cell Rep. 2021 Jun 15;35(11):109251
pubmed: 34133929
Biochemistry. 2020 Sep 1;59(34):3098-3110
pubmed: 31585501
Glycobiology. 1997 Dec;7(8):1053-60
pubmed: 9455905
Neural Netw. 2015 Jan;61:85-117
pubmed: 25462637
J Cheminform. 2015 May 30;7:23
pubmed: 26136848
Cell. 2021 Jun 10;184(12):3109-3124.e22
pubmed: 34004145

Auteurs

Daniel Bojar (D)

Department of Chemistry and Molecular Biology, University of Gothenburg, Gothenburg 41390, Sweden.
Wallenberg Centre for Molecular and Translational Medicine, University of Gothenburg, Gothenburg 41390, Sweden.

Frederique Lisacek (F)

Proteome Informatics Group, Swiss Institute of Bioinformatics, CH-1227 Geneva, Switzerland.
Computer Science Department & Section of Biology, University of Geneva, route de Drize 7, CH-1227, Geneva, Switzerland.

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