Reference on EC 3.4.22.69 - SARS coronavirus main proteinase
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REF. 
AUTHORS
TITLE
JOURNAL
VOL.
PAGES
YEAR
ORGANISM (UNIPROT)
PUBMED ID
SOURCE
Xu, T.; Ooi, A.; Lee, H.C.; Wilmouth, R.; Liu, D.X.; Lescar, J.
Structure of the SARS coronavirus main proteinase as an active C2 crystallographic dimer
Acta Crystallogr. Sect. F
61
964-966
2005
Severe acute respiratory syndrome-related coronavirus
Zhang, X.W.; Yap, Y.L.
Old drugs as lead compounds for a new disease? Binding analysis of SARS coronavirus main proteinase with HIV, psychotic and parasite drugs
Bioorg. Med. Chem.
12
2517-2521
2004
Severe acute respiratory syndrome-related coronavirus
Graziano, V.; McGrath, W.J.; DeGruccio, A.M.; Dunn, J.J.; Mangel, W.F.
Enzymatic activity of the SARS coronavirus main proteinase dimer
FEBS Lett.
580
2577-2583
2006
Severe acute respiratory syndrome-related coronavirus
Tan, J.; Verschueren, K.H.; Anand, K.; Shen, J.; Yang, M.; Xu, Y.; Rao, Z.; Bigalke, J.; Heisen, B.; Mesters, J.R.; Chen, K.; Shen, X.; Jiang, H.; Hilgenfeld, R.
pH-dependent conformational flexibility of the SARS-CoV main proteinase (M(pro)) dimer: molecular dynamics simulations and multiple X-ray structure analyses
J. Mol. Biol.
354
25-40
2005
Severe acute respiratory syndrome-related coronavirus
Graziano, V.; McGrath, W.J.; Yang, L.; Mangel, W.F.
SARS CoV main proteinase: The monomer-dimer equilibrium dissociation constant
Biochemistry
45
14632-14641
2006
Severe acute respiratory syndrome-related coronavirus
Goetz, D.H.; Choe, Y.; Hansell, E.; Chen, Y.T.; McDowell, M.; Jonsson, C.B.; Roush, B.C.; McKerrow, J.; Craik, C.S.
Substrate specificity profiling and identification of a new class of inhibitor for the major protease of the SARS coronavirus
Biochemistry
46
8744-8752
2007
Severe acute respiratory syndrome-related coronavirus
Solowiej, J.; Thomson, J.A.; Ryan, K.; Luo, C.; He, M.; Lou, J.; Murray, B.W.
Steady-state and pre-steady-state kinetic evaluation of severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro cysteine protease: development of an ion-pair model for catalysis
Biochemistry
47
2617-2630
2008
Severe acute respiratory syndrome-related coronavirus
Hamill, P.; Hudson, D.; Kao, R.Y.; Chow, P.; Raj, M.; Xu, H.; Richer, M.J.; Jean, F.
Development of a red-shifted fluorescence-based assay for SARS-coronavirus 3CL protease: identification of a novel class of anti-SARS agents from the tropical marine sponge Axinella corrugata
Biol. Chem.
387
1063-1074
2006
Severe acute respiratory syndrome-related coronavirus
Chen, L.; Li, J.; Luo, C.; Liu, H.; Xu, W.; Chen, G.; Liew, O.W.; Zhu, W.; Puah, C.M.; Shen, X.; Jiang, H.
Binding interaction of quercetin-3-beta -galactoside and its synthetic derivatives with SARS-CoV 3CLpro: Structure-activity relationship studies reveal salient pharmacophore features
Bioorg. Med. Chem.
14
8295-8306
2006
Severe acute respiratory syndrome-related coronavirus
Niu, C.; Yin, J.; Zhang, J.; Vederas, J.C.; James, M.N.
Molecular docking identifies the binding of 3-chloropyridine moieties specifically to the S1 pocket of SARS-CoV Mpro
Bioorg. Med. Chem.
16
293-302
2008
Severe acute respiratory syndrome-related coronavirus
Ghosh, A.K.; Xi, K.; Grum-Tokars, V.; Xu, X.; Ratia, K.; Fu, W.; Houser, K.V.; Baker, S.C.; Johnson, M.E.; Mesecar, A.D.
Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors
Bioorg. Med. Chem. Lett.
17
5876-5880
2007
Severe acute respiratory syndrome-related coronavirus
Chang, H.; Chou, C.; Chang, G.
Reversible unfolding of the severe acute respiratory syndrome coronavirus main protease in guanidinium chloride
Biophys. J.
92
1374-1383
2007
Severe acute respiratory syndrome-related coronavirus
Wu, C.; King, K.; Kuo, C.; Fang, J.; Wu, Y.; Ho, M.; Liao, C.; Shie, J.; Liang, P.; Wong, C.
Stable benzotriazole esters as mechanism-based inactivators of the severe acute respiratory syndrome 3CL protease
Chem. Biol.
13
261-268
2006
Severe acute respiratory syndrome-related coronavirus
Shao, Y.; Yang, W.; Peng, H.; Hsu, M.; Tsai, K.; Kuo, T.; Wang, A.H.; Liang, P.; Lin, C.; Yang, A.; Wong, C.
Structure-based design and synthesis of highly potent SARS-CoV 3CL protease inhibitors
Chembiochem
8
1654-1657
2007
Severe acute respiratory syndrome-related coronavirus
Lai, L.; Han, X.; Chen, H.; Wei, P.; Huang, C.; Liu, S.; Fan, K.; Zhou, L.; Liu, Z.; Pei, J.; Liu, Y.
Quaternary structure, substrate selectivity and inhibitor design for SARS 3C-like proteinase
Curr. Pharm. Des.
12
4555-4564
2006
Severe acute respiratory syndrome-related coronavirus
Liang, P.
Characterization and inhibition of SARS-coronavirus main protease
Curr. Top. Med. Chem.
6
361-376
2006
Severe acute respiratory syndrome-related coronavirus
Shi, J.; Song, J.
The catalysis of the SARS 3C-like protease is under extensive regulation by its extra domain
FEBS J.
273
1035-1045
2006
Severe acute respiratory syndrome-related coronavirus
Chen, H.; Wei, P.; Huang, C.; Tan, L.; Liu, Y.; Lai, L.
Only one protomer is active in the dimer of SARS 3C-like proteinase
J. Biol. Chem.
281
13894-13898
2006
Severe acute respiratory syndrome-related coronavirus
Chen, S.; Hu, T.; Zhang, J.; Chen, J.; Chen, K.; Ding, J.; Jiang, H.; Shen, X.
Mutation of Gly-11 on the dimer interface results in the complete crystallographic dimer dissociation of severe acute respiratory syndrome coronavirus 3C-like protease. Crystal structure with molecular dynamics simulations
J. Biol. Chem.
283
554-564
2008
Alphacoronavirus
Yang, S.; Chen, S.; Hsu, M.; Wu, J.; Tseng, C.K.; Liu, Y.; Chen, H.; Kuo, C.; Wu, C.; Chang, L.; Chen, W.; Liao, S.; Chang, T.; Hung, H.; Shr, H.; Liu, C.; Huang, Y.; Chang, L.; Hsu, J.; Peters, C.J.; Wang, A.H.; Hsu, M.
Synthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor
J. Med. Chem.
49
4971-4980
2006
Severe acute respiratory syndrome-related coronavirus
Lu, I.; Mahindroo, N.; Liang, P.; Peng, Y.; Kuo, C.; Tsai, K.; Hsieh, H.; Chao, Y.; Wu, S.
Structure-based drug design and structural biology study of novel nonpeptide inhibitors of severe acute respiratory syndrome coronavirus main protease
J. Med. Chem.
49
5154-5161
2006
Severe acute respiratory syndrome-related coronavirus
Wen, C.; Kuo, Y.; Jan, J.; Liang, P.; Wang, S.; Liu, H.; Lee, C.; Chang, S.; Kuo, C.; Lee, S.; Hou, C.; Hsiao, P.; Chien, S.; Shyur, L.; Yang, N.
Specific plant terpenoids and lignoids possess potent antiviral activities against severe acute respiratory syndrome coronavirus
J. Med. Chem.
50
4087-4095
2007
Severe acute respiratory syndrome-related coronavirus
Lee, T.; Cherney, M.M.; Liu, J.; James, K.E.; Powers, J.C.; Eltis, L.D.; James, M.N.
Crystal structures reveal an induced-fit binding of a substrate-like aza-peptide epoxide to SARS coronavirus main peptidase
J. Mol. Biol.
366
916-932
2007
Severe acute respiratory syndrome-related coronavirus
Yin, J.; Niu, C.; Cherney, M.M.; Zhang, J.; Huitema, C.; Eltis, L.D.; Vederas, J.C.; James, M.N.
A mechanistic view of enzyme inhibition and peptide hydrolysis in the active site of the SARS-CoV 3C-like peptidase
J. Mol. Biol.
371
1060-1074
2007
Severe acute respiratory syndrome-related coronavirus
Zheng, K.; Ma, G.; Zhou, J.; Min, Z.; Zhao, W.; Jiang, Y.; Yu, Q.; Feng, J.
Insight into the activity of SARS main protease: molecular dynamics study of dimeric and monomeric form of enzyme
Proteins Struct. Funct. Bioinform.
66
467-479
2007
Severe acute respiratory syndrome-related coronavirus
Lin, P.Y.; Chou, C.Y.; Chang, H.C.; Hsu, W.C.; Chang, G.G.
Correlation between dissociation and catalysis of SARS-CoV main protease
Arch. Biochem. Biophys.
472
34-42
2008
Severe acute respiratory syndrome-related coronavirus
Fan, K.; Wei, P.; Feng, Q.; Chen, S.; Huang, C.; Ma, L.; Lai, B.; Pei, J.; Liu, Y.; Chen, J.; Lai, L.J.
Biosynthesis, purification, and substrate specificity of severe acute respiratory syndrome coronavirus 3C-like proteinase
Biol. Chem.
279
1637-1642
2004
Severe acute respiratory syndrome-related coronavirus
Zhang, J.; Huitema, C.; Niu, C.; Yin, J.; James, M.N.; Eltis, L.D.; Vederas, J.C.
Aryl methylene ketones and fluorinated methylene ketones as reversible inhibitors for severe acute respiratory syndrome (SARS) 3C-like proteinase
Bioorg. Chem.
36
229-240
2008
Severe acute respiratory syndrome-related coronavirus
Mukherjee, P.; Desai, P.; Ross, L.; White, E.L.; Avery, M.A.
Structure-based virtual screening against SARS-3CL(pro) to identify novel non-peptidic hits
Bioorg. Med. Chem.
16
4138-4149
2008
Severe acute respiratory syndrome-related coronavirus
Shao, Y.M.; Yang, W.B.; Kuo, T.H.; Tsai, K.C.; Lin, C.H.; Yang, A.S.; Liang, P.H.; Wong, C.H.
Design, synthesis, and evaluation of trifluoromethyl ketones as inhibitors of SARS-CoV 3CL protease
Bioorg. Med. Chem.
16
4652-4660
2008
Severe acute respiratory syndrome-related coronavirus
Akaji, K.; Konno, H.; Onozuka, M.; Makino, A.; Saito, H.; Nosaka, K.
Evaluation of peptide-aldehyde inhibitors using R188I mutant of SARS 3CL protease as a proteolysis-resistant mutant
Bioorg. Med. Chem.
16
9400-9408
2008
Severe acute respiratory syndrome-related coronavirus
Ghosh, A.K.; Gong, G.; Grum-Tokars, V.; Mulhearn, D.C.; Baker, S.C.; Coughlin, M.; Prabhakar, B.S.; Sleeman, K.; Johnson, M.E.; Mesecar, A.D.
Design, synthesis and antiviral efficacy of a series of potent chloropyridyl ester-derived SARS-CoV 3CLpro inhibitors
Bioorg. Med. Chem. Lett.
18
5684-5688
2008
Severe acute respiratory syndrome-related coronavirus
Phakthanakanok, K.; Ratanakhanokchai, K.; Kyu, K.L.; Sompornpisut, P.; Watts, A.; Pinitglang, S.
A computational analysis of SARS cysteine proteinase-octapeptide substrate interaction: implication for structure and active site binding mechanism
BMC Bioinformatics
10 Suppl 1
S48
2009
Severe acute respiratory syndrome-related coronavirus
Bacha, U.; Barrila, J.; Gabelli, S.B.; Kiso, Y.; Mario Amzel, L.; Freire, E.
Development of broad-spectrum halomethyl ketone inhibitors against coronavirus main protease 3CL(pro)
Chem. Biol. Drug Des.
72
34-49
2008
Severe acute respiratory syndrome-related coronavirus
Yang, Q.; Chen, L.; He, X.; Gao, Z.; Shen, X.; Bai, D.
Design and synthesis of cinanserin analogs as severe acute respiratory syndrome coronavirus 3CL protease inhibitors
Chem. Pharm. Bull.
56
1400-1405
2008
Severe acute respiratory syndrome-related coronavirus
Kuo, C.J.; Liu, H.G.; Lo, Y.K.; Seong, C.M.; Lee, K.I.; Jung, Y.S.; Liang, P.H.
Individual and common inhibitors of coronavirus and picornavirus main proteases
FEBS Lett.
583
549-555
2009
Severe acute respiratory syndrome-related coronavirus
Chen, S.; Zhang, J.; Hu, T.; Chen, K.; Jiang, H.; Shen, X.
Residues on the dimer interface of SARS coronavirus 3C-like protease: dimer stability characterization and enzyme catalytic activity analysis
J. Biochem.
143
525-536
2008
Severe acute respiratory syndrome-related coronavirus
Lee, C.C.; Kuo, C.J.; Ko, T.P.; Hsu, M.F.; Tsui, Y.C.; Chang, S.C.; Yang, S.; Chen, S.J.; Chen, H.C.; Hsu, M.C.; Shih, S.R.; Liang, P.H.; Wang, A.H.
Structural basis of inhibition specificities of 3C and 3C-like proteases by zinc-coordinating and peptidomimetic Compounds
J. Biol. Chem.
284
7646-7655
2009
Severe acute respiratory syndrome-related coronavirus
Taranto, A.G.; Carvalho, P.; Avery, M.A.
QM/QM studies for Michael reaction in coronavirus main protease (3CL Pro)
J. Mol. Graph. Model.
27
275-285
2008
Severe acute respiratory syndrome-related coronavirus
Zhong, N.; Zhang, S.; Zou, P.; Chen, J.; Kang, X.; Li, Z.; Liang, C.; Jin, C.; Xia, B.
Without its N-finger, the main protease of severe acute respiratory syndrome coronavirus can form a novel dimer through its C-terminal domain
J. Virol.
82
4227-4234
2008
Severe acute respiratory syndrome-related coronavirus
Shi, J.; Sivaraman, J.; Song, J.
Mechanism for controlling the dimer-monomer switch and coupling dimerization to catalysis of the severe acute respiratory syndrome coronavirus 3C-like protease
J. Virol.
82
4620-4629
2008
Severe acute respiratory syndrome-related coronavirus
Chu, L.H.; Choy, W.Y.; Tsai, S.N.; Rao, Z.; Ngai, S.M.
Rapid peptide-based screening on the substrate specificity of severe acute respiratory syndrome (SARS) coronavirus 3C-like protease by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry
Protein Sci.
15
699-709
2006
Severe acute respiratory syndrome-related coronavirus
Zhong, N.; Zhang, S.; Xue, F.; Kang, X.; Zou, P.; Chen, J.; Liang, C.; Rao, Z.; Jin, C.; Lou, Z.; Xia, B.
C-terminal domain of SARS-CoV main protease can form a 3D domain-swapped dimer
Protein Sci.
18
839-844
2009
Severe acute respiratory syndrome-related coronavirus
Regnier, T.; Sarma, D.; Hidaka, K.; Bacha, U.; Freire, E.; Hayashi, Y.; Kiso, Y.
New developments for the design, synthesis and biological evaluation of potent SARS-CoV 3CL(pro) inhibitors
Bioorg. Med. Chem. Lett.
19
2722-2727
2009
Severe acute respiratory syndrome-related coronavirus
Ryu, Y.B.; Park, S.J.; Kim, Y.M.; Lee, J.Y.; Seo, W.D.; Chang, J.S.; Park, K.H.; Rho, M.C.; Lee, W.S.
SARS-CoV 3CLpro inhibitory effects of quinone-methide triterpenes from Tripterygium regelii
Bioorg. Med. Chem. Lett.
20
1873-1876
2010
Severe acute respiratory syndrome-related coronavirus
Ramajayam, R.; Tan, K.P.; Liu, H.G.; Liang, P.H.
Synthesis, docking studies, and evaluation of pyrimidines as inhibitors of SARS-CoV 3CL protease
Bioorg. Med. Chem. Lett.
20
3569-3572
2010
Severe acute respiratory syndrome-related coronavirus
Cheng, S.C.; Chang, G.G.; Chou, C.Y.
Mutation of Glu-166 blocks the substrate-induced dimerization of SARS coronavirus main protease
Biophys. J.
98
1327-1336
2010
Severe acute respiratory syndrome-related coronavirus
Luo, W.; Su, X.; Gong, S.; Qin, Y.; Liu, W.; Li, J.; Yu, H.; Xu, Q.
Anti-SARS coronavirus 3C-like protease effects of Rheum palmatum L. extracts
Biosci. Trends
3
124-126
2009
Severe acute respiratory syndrome-related coronavirus
Kuo, C.J.; Shih, Y.P.; Kan, D.; Liang, P.H.
Engineering a novel endopeptidase based on SARS 3CL(pro)
Biotechniques
47
1029-1032
2009
Severe acute respiratory syndrome-related coronavirus
Li, C.; Qi, Y.; Teng, X.; Yang, Z.; Wei, P.; Zhang, C.; Tan, L.; Zhou, L.; Liu, Y.; Lai, L.
Maturation mechanism of severe acute respiratory syndrome (SARS) coronavirus 3C-like proteinase
J. Biol. Chem.
285
28134-28140
2010
Severe acute respiratory syndrome-related coronavirus
Hu, T.; Zhang, Y.; Li, L.; Wang, K.; Chen, S.; Chen, J.; Ding, J.; Jiang, H.; Shen, X.
Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure
Virology
388
324-334
2009
SARS coronavirus Tor2 (P0C6U8)
Zhu, L.; George, S.; Schmidt, M.F.; Al-Gharabli, S.I.; Rademann, J.; Hilgenfeld, R.
Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease
Antiviral Res.
92
204-212
2011
Severe acute respiratory syndrome-related coronavirus (P0C6U8), Severe acute respiratory syndrome-related coronavirus
Barrila, J.; Gabelli, S.B.; Bacha, U.; Amzel, L.M.; Freire, E.
Mutation of Asn28 disrupts the dimerization and enzymatic activity of SARS 3CLpro
Biochemistry
49
4308-4317
2010
Severe acute respiratory syndrome-related coronavirus, Severe acute respiratory syndrome-related coronavirus Tor2
Okamoto, D.N.; Oliveira, L.C.; Kondo, M.Y.; Cezari, M.H.; Szeltner, Z.; Juhasz, T.; Juliano, M.A.; Polgar, L.; Juliano, L.; Gouvea, I.E.
Increase of SARS-CoV 3CL peptidase activity due to macromolecular crowding effects in the milieu composition
Biol. Chem.
391
1461-1468
2010
Severe acute respiratory syndrome-related coronavirus
Nguyen, T.T.; Ryu, H.J.; Lee, S.H.; Hwang, S.; Breton, V.; Rhee, J.H.; Kim, D.
Virtual screening identification of novel severe acute respiratory syndrome 3C-like protease inhibitors and in vitro confirmation
Bioorg. Med. Chem. Lett.
21
3088-3091
2011
Severe acute respiratory syndrome-related coronavirus
Ahn, T.; Kuo, C.; Liu, H.; Ha, D.; Liang, P.; Jung, Y.
Synthesis and evaluation of benzoquinolinone derivatives as SARS-CoV 3CL protease inhibitors
Bull. Korean Chem. Soc.
31
87-91
2010
Severe acute respiratory syndrome-related coronavirus
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Akaji, K.; Konno, H.; Mitsui, H.; Teruya, K.; Shimamoto, Y.; Hattori, Y.; Ozaki, T.; Kusunoki, M.; Sanjoh, A.
Structure-based design, synthesis, and evaluation of peptide-mimetic SARS 3CL protease inhibitors
J. Med. Chem.
54
7962-7973
2011
Severe acute respiratory syndrome-related coronavirus (P0C6U8)
Chuck, C.; Chong, L.; Chen, C.; Chow, H.; Wan, D.; Wong, K.
Profiling of substrate specificity of SARS-CoV 3CLpro
PLoS ONE
5
e13197
2010
Severe acute respiratory syndrome-related coronavirus
Wu, C.G.; Cheng, S.C.; Chen, S.C.; Li, J.Y.; Fang, Y.H.; Chen, Y.H.; Chou, C.Y.
Mechanism for controlling the monomer-dimer conversion of SARS coronavirus main protease
Acta Crystallogr. Sect. D
69
747-755
2013
Severe acute respiratory syndrome-related coronavirus (P0C6U8), Severe acute respiratory syndrome-related coronavirus
Paasche, A.; Zipper, A.; Schaefer, S.; Ziebuhr, J.; Schirmeister, T.; Engels, B.
Evidence for substrate binding-induced zwitterion formation in the catalytic Cys-His dyad of the SARS-CoV main protease
Biochemistry
53
5930-5946
2014
Severe acute respiratory syndrome-related coronavirus
Turlington, M.; Chun, A.; Tomar, S.; Eggler, A.; Grum-Tokars, V.; Jacobs, J.; Daniels, J.S.; Dawson, E.; Saldanha, A.; Chase, P.; Baez-Santos, Y.M.; Lindsley, C.W.; Hodder, P.; Mesecar, A.D.; Stauffer, S.R.
Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamidophenyl carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors: identification of ML300 and noncovalent nanomolar inhibitors with an induced-fit binding
Bioorg. Med. Chem. Lett.
23
6172-6177
2013
Severe acute respiratory syndrome-related coronavirus
Thanigaimalai, P.; Konno, S.; Yamamoto, T.; Koiwai, Y.; Taguchi, A.; Takayama, K.; Yakushiji, F.; Akaji, K.; Kiso, Y.; Kawasaki, Y.; Chen, S.E.; Naser-Tavakolian, A.; Schoen, A.; Freire, E.; Hayashi, Y.
Design, synthesis, and biological evaluation of novel dipeptide-type SARS-CoV 3CL protease inhibitors: structure-activity relationship study
Eur. J. Med. Chem.
65
436-447
2013
Severe acute respiratory syndrome-related coronavirus
Thanigaimalai, P.; Konno, S.; Yamamoto, T.; Koiwai, Y.; Taguchi, A.; Takayama, K.; Yakushiji, F.; Akaji, K.; Chen, S.E.; Naser-Tavakolian, A.; Schoen, A.; Freire, E.; Hayashi, Y.
Development of potent dipeptide-type SARS-CoV 3CL protease inhibitors with novel P3 scaffolds: design, synthesis, biological evaluation, and docking studies
Eur. J. Med. Chem.
68
372-384
2013
Severe acute respiratory syndrome-related coronavirus
Muramatsu, T.; Kim, Y.T.; Nishii, W.; Terada, T.; Shirouzu, M.; Yokoyama, S.
Autoprocessing mechanism of severe acute respiratory syndrome coronavirus 3C-like protease (SARS-CoV 3CLpro) from its polyproteins
FEBS J.
280
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2013
Severe acute respiratory syndrome-related coronavirus
Krichel, B.; Falke, S.; Hilgenfeld, R.; Redecke, L.; Uetrecht, C.
Processing of the SARS-CoV pp1a/ab nsp7-10 region
Biochem. J.
477
1009-1019
2020
Severe acute respiratory syndrome-related coronavirus (P0C6X7), Severe acute respiratory syndrome-related coronavirus
Shimamoto, Y.; Hattori, Y.; Kobayashi, K.; Teruya, K.; Sanjoh, A.; Nakagawa, A.; Yamashita, E.; Akaji, K.
Fused-ring structure of decahydroisoquinoline as a novel scaffold for SARS 3CL protease inhibitor
Bioorg. Med. Chem.
23
876-890
2015
Severe acute respiratory syndrome-related coronavirus (P0C6X7)
Ohnishi, K.; Hattori, Y.; Kobayashi, K.; Akaji, K.
Evaluation of a non-prime site substituent and warheads combined with a decahydroisoquinolin scaffold as a SARS 3CL protease inhibitor
Bioorg. Med. Chem.
27
425-435
2019
Severe acute respiratory syndrome-related coronavirus (P0C6X7)
Yoshizawa, S.I.; Hattori, Y.; Kobayashi, K.; Akaji, K.
Evaluation of an octahydroisochromene scaffold used as a novel SARS 3CL protease inhibitor
Bioorg. Med. Chem.
28
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2020
Severe acute respiratory syndrome-related coronavirus (P0C6X7)
Konno, H.; Onuma, T.; Nitanai, I.; Wakabayashi, M.; Yano, S.; Teruya, K.; Akaji, K.
Synthesis and evaluation of phenylisoserine derivatives for the SARS-CoV 3CL protease inhibitor
Bioorg. Med. Chem. Lett.
27
2746-2751
2017
Severe acute respiratory syndrome-related coronavirus (P0C6X7)
Teruya, K.; Hattori, Y.; Shimamoto, Y.; Kobayashi, K.; Sanjoh, A.; Nakagawa, A.; Yamashita, E.; Akaji, K.
Structural basis for the development of SARS 3CL protease inhibitors from a peptide mimic to an aza-decaline scaffold
Biopolymers
106
391-403
2016
Severe acute respiratory syndrome-related coronavirus (P0C6X7)
Morse, J.; Lalonde, T.; Xu, S.; Liu, W.
Learning from the Past Possible urgent prevention and treatment options for severe acute respiratory infections caused by 2019-nCoV
ChemBioChem
21
730-738
2020
Severe acute respiratory syndrome-related coronavirus (P0C6X7)
Rahman, M.; Hosen, M.; Howlader, M.; Kabir, Y.
Lead molecule prediction and characterization for designing MERS-CoV 3C-like protease inhibitors An in silico approach
Curr. Comput. Aided Drug Des.
15
82-88
2019
Middle East respiratory syndrome-related coronavirus
Wang, L.; Bao, B.B.; Song, G.Q.; Chen, C.; Zhang, X.M.; Lu, W.; Wang, Z.; Cai, Y.; Li, S.; Fu, S.; Song, F.H.; Yang, H.; Wang, J.G.
Discovery of unsymmetrical aromatic disulfides as novel inhibitors of SARS-CoV main protease Chemical synthesis, biological evaluation, molecular docking and 3D-QSAR study
Eur. J. Med. Chem.
137
450-461
2017
Severe acute respiratory syndrome-related coronavirus (P0C6X7)
Chen, Y.W.; Yiu, C.B.; Wong, K.Y.
Prediction of the SARS-CoV-2 (2019-nCoV) 3C-like protease (3CL pro) structure virtual screening reveals velpatasvir, ledipasvir, and other drug repurposing candidates
F1000Res.
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129
2020
Severe acute respiratory syndrome coronavirus 2 (MN908947)
Zhou, J.; Fang, L.; Yang, Z.; Xu, S.; Lv, M.; Sun, Z.; Chen, J.; Wang, D.; Gao, J.; Xiao, S.
Identification of novel proteolytically inactive mutations in coronavirus 3C-like protease using a combined approach
FASEB J.
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14575-14587
2019
porcine epidemic diarrhea virus
Jo, S.; Kim, S.; Shin, D.H.; Kim, M.S.
Inhibition of SARS-CoV 3CL protease by flavonoids
J. Enzyme Inhib. Med. Chem.
35
145-151
2020
Severe acute respiratory syndrome-related coronavirus (P0C6X7)
Dong, S.; Sun, J.; Mao, Z.; Wang, L.; Lu, Y.L.; Li, J.
A guideline for homology modeling of the proteins from newly discovered betacoronavirus, 2019 novel coronavirus (2019-nCoV)
J. Med. Virol.
92
1542-1548
2020
Severe acute respiratory syndrome coronavirus 2 (MN908947), Severe acute respiratory syndrome coronavirus 2
Ton, A.T.; Gentile, F.; Hsing, M.; Ban, F.; Cherkasov, A.
Rapid identification of potential inhibitors of SARS-CoV-2 main protease by deep docking of 1.3 billion compounds
Mol. Inform.
39
e2000028
2020
Severe acute respiratory syndrome coronavirus 2 (MN908947), Severe acute respiratory syndrome coronavirus 2
Muramatsu, T.; Takemoto, C.; Kim, Y.T.; Wang, H.; Nishii, W.; Terada, T.; Shirouzu, M.; Yokoyama, S.
SARS-CoV 3CL protease cleaves its C-terminal autoprocessing site by novel subsite cooperativity
Proc. Natl. Acad. Sci. USA
113
12997-13002
2016
Severe acute respiratory syndrome-related coronavirus (P0C6X7), Severe acute respiratory syndrome-related coronavirus
Lim, L.; Gupta, G.; Roy, A.; Kang, J.; Srivastava, S.; Shi, J.; Song, J.
Structurally- and dynamically-driven allostery of the chymotrypsin-like proteases of SARS, Dengue and Zika viruses
Prog. Biophys. Mol. Biol.
143
52-66
2019
Severe acute respiratory syndrome-related coronavirus (P0C6X7)
Li, C.; Teng, X.; Qi, Y.; Tang, B.; Shi, H.; Ma, X.; Lai, L.
Conformational flexibility of a short loop near the active site of the SARS-3CLpro is essential to maintain catalytic activity
Sci. Rep.
6
20918
2016
Severe acute respiratory syndrome-related coronavirus
Zhang, L.; Lin, D.; Sun, X.; Curth, U.; Drosten, C.; Sauerhering, L.; Becker, S.; Rox, K.; Hilgenfeld, R.
Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors
Science
368
409-412
2020
Severe acute respiratory syndrome coronavirus 2 (MN908947), Severe acute respiratory syndrome coronavirus 2, Severe acute respiratory syndrome-related coronavirus (P0C6U8)
Perera, K.D.; Rathnayake, A.D.; Liu, H.; Pedersen, N.C.; Groutas, W.C.; Chang, K.O.; Kim, Y.
Characterization of amino acid substitutions in feline coronavirus 3C-like protease from a cat with feline infectious peritonitis treated with a protease inhibitor
Vet. Microbiol.
237
108398
2019
feline coronavirus
Kanitz, M.; Blanck, S.; Heine, A.; Gulyaeva, A.A.; Gorbalenya, A.E.; Ziebuhr, J.; Diederich, W.E.
Structural basis for catalysis and substrate specificity of a 3C-like cysteine protease from a mosquito mesonivirus
Virology
533
21-33
2019
Alphamesonivirus 1 (F8RL29)
Choudhury, M.; Dhanabalan, A.; Goswami, N.
Understanding the binding mechanism for potential inhibition of SARS-CoV-2 Mpro and exploring the modes of ACE2 inhibition by hydroxychloroquine
J. Cell. Biochem.
123
347-358
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
Cheng, Y.; Borum, R.; Clark, A.; Jin, Z.; Moore, C.; Fajtova, P.; ODonoghue, A.; Carlin, A.; Jokerst, J.
A dual-color fluorescent probe allows simultaneous imaging of main and papain-like proteases of SARS-CoV-2-infected cells for accurate detection and rapid inhibitor screening
Angew. Chem. Int. Ed. Engl.
61
e202113617
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
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Chiou, W.; Chen, J.; Chen, Y.; Yang, J.; Hwang, L.; Lyu, Y.; Yang, H.; Huang, C.
The inhibitory effects of PGG and EGCG against the SARS-CoV-2 3C-like protease
Biochem. Biophys. Res. Commun.
591
130-136
2022
severe acute respiratory syndrome coronavirus (P0C6X7), Severe acute respiratory syndrome coronavirus 2 (P0DTD1), Severe acute respiratory syndrome coronavirus 2
Kankariya, R.A.; Chaudhari, A.B.; Dandi, N.D.
Inhibitory efficacy of 2, 4-diacetylphloroglucinol against SARS-COV-2 proteins in silico study
Biologia
2022
1-14
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
Gorai, S.; Junghare, V.; Kundu, K.; Gharui, S.; Kumar, M.; Patro, B.S.; Nayak, S.K.; Hazra, S.; Mula, S.
Synthesis of dihydrobenzofuro[3,2-b]chromenes as potential 3CLpro inhibitors of SARS-CoV-2 A molecular docking and molecular dynamics study
ChemMedChem
2022
e202100782
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
Alici, H.; Tahtaci, H.; Demir, K.
Design and various in silico studies of the novel curcumin derivatives as potential candidates against COVID-19-associated main enzymes
Comput. Biol. Chem.
98
107657
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
Stille, J.K.; Tjutrins, J.; Wang, G.; Venegas, F.A.; Hennecker, C.; Rueda, A.M.; Sharon, I.; Blaine, N.; Miron, C.E.; Pinus, S.; Labarre, A.; Plescia, J.; Burai Patrascu, M.; Zhang, X.; Wahba, A.S.; Vlaho, D.; Huot, M.J.; Schmeing, T.M.; Mittermaier, A.K.; Moitessier, N.
Design, synthesis and invitro evaluation of novel SARS-CoV-2 3CLpro covalent inhibitors
Eur. J. Med. Chem.
229
114046
2022
Severe acute respiratory syndrome coronavirus 2
Xiong, M.; Nie, T.; Shao, Q.; Li, M.; Su, H.; Xu, Y.
In silico screening-based discovery of novel covalent inhibitors of the SARS-CoV-2 3CL protease
Eur. J. Med. Chem.
231
114130
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
Kuo, C.J.; Liang, P.H.
SARS-CoV-2 3CLpro displays faster self-maturation in vitro than SARS-CoV 3CLpro due to faster C-terminal cleavage
FEBS Lett.
596
1214-1224
2022
severe acute respiratory syndrome coronavirus, Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
Bahun, M.; Jukic, M.; Oblak, D.; Kranjc, L.; Bajc, G.; Butala, M.; Bozovicar, K.; Bratkovic, T.; Podlipnik, C.; Poklar Ulrih, N.
Inhibition of the SARS-CoV-2 3CLpro main protease by plant polyphenols
Food Chem.
373
131594
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
Zhang, L.C.; Zhao, H.L.; Liu, J.; He, L.; Yu, R.L.; Kang, C.M.
Design of SARS-CoV-2 Mpro, PLpro dual-target inhibitors based on deep reinforcement learning and virtual screening
Future Med. Chem.
14
393-405
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
Chen, Y.; Yang, W.; Chen, H.; Huang, L.; Gao, J.; Lin, C.; Wang, Y.; Yang, C.; Liu, Y.; Hou, M.; Tsai, C.; Chou, Y.; Huang, B.; Hung, C.; Hung, Y.; Wang, W.; Su, W.; Kumar, V.; Wu, Y.; Chao, S.; Chang, C.; Chen, J.; Chiang, Y.; Cho, D.; Jeng, L.; Tsai, C.
Tafenoquine and its derivatives as inhibitors for the severe acute respiratory syndrome coronavirus 2
J. Biol. Chem.
298
101658
2022
Severe acute respiratory syndrome coronavirus 2
Bhargavi, S.; Madhan Shankar, S.R.; Jemmy, C.H.
In silico and in vitro studies on inhibitors for SARS-CoV-2 non-structural proteins with dual herbal combination of Withania somnifera with five rasayana herbs
J. Biomol. Struct. Dyn.
2022
1-16
2022
Severe acute respiratory syndrome coronavirus 2
De, P.; Bhayye, S.; Kumar, V.; Roy, K.
In silico modeling for quick prediction of inhibitory activity against 3CLpro enzyme in SARS CoV diseases
J. Biomol. Struct. Dyn.
40
1010-1036
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
Motiwale, M.; Yadav, N.; Kumar, S.; Kushwaha, T.; Choudhir, G.; Sharma, S.; Singour, P.
Finding potent inhibitors for COVID-19 main protease (Mpro) an in silico approach using SARS-CoV-3CL protease inhibitors for combating CORONA
J. Biomol. Struct. Dyn.
40
1534-1545
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1), Severe acute respiratory syndrome coronavirus 2
Swargiary, A.; Mahmud, S.; Saleh, M.
Screening of phytochemicals as potent inhibitor of 3-chymotrypsin and papain-like proteases of SARS-CoV2 an in silico approach to combat COVID-19
J. Biomol. Struct. Dyn.
40
2067-2081
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
Sharma, A.; Goyal, S.; Yadav, A.; Kumar, P.; Gupta, L.
In-silico screening of plant-derived antivirals against main protease, 3CLpro and endoribonuclease, NSP15 proteins of SARS-CoV-2
J. Biomol. Struct. Dyn.
40
86-100
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1), Severe acute respiratory syndrome coronavirus 2
Bhattacharya, K.; Bordoloi, R.; Chanu, N.R.; Kalita, R.; Sahariah, B.J.; Bhattacharjee, A.
In silico discovery of 3 novel quercetin derivatives against papain-like protease, spike protein, and 3C-like protease of SARS-CoV-2
J. Gen. Eng. Biotechnol.
20
43
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
Han, S.; Goins, C.; Arya, T.; Shin, W.; Maw, J.; Hooper, A.; Sonawane, D.; Porter, M.; Bannister, B.; Crouch, R.; Lindsey, A.; Lakatos, G.; Martinez, S.; Alvarado, J.; Akers, W.; Wang, N.; Jung, J.; MacDonald, J.; Stauffer, S.
Structure-based optimization of ML300-derived, noncovalent inhibitors targeting the severe acute respiratory syndrome coronavirus 3CL protease (SARS-CoV-2 3CLpro)
J. Med. Chem.
65
2880-2904
2022
severe acute respiratory syndrome coronavirus (P0C6X7), Severe acute respiratory syndrome coronavirus 2 (P0DTD1), Severe acute respiratory syndrome coronavirus 2
Wan, S.; Bhati, A.P.; Wade, A.D.; Alfe, D.; Coveney, PV
Thermodynamic and structural insights into the repurposing of drugs that bind to SARS-CoV-2 main protease
Mol. Syst. Des. Eng.
7
123-131
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
Phong, N.V.; Trang, N.M.; Quyen, C.T.; Anh, H.L.T.; Vinh, L.B.
SARS-CoV-2 main protease and papain-like protease inhibition by abietane-type diterpenes isolated from the branches of Glyptostrobus pensilis using molecular docking studies
Nat. Prod. Res.
2022
1-8
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
Tiyoula, F.T.; Aryapour, H.
Reconstruction of the unbinding pathways of noncovalent SARS-CoV and SARS-CoV-2 3CLpro inhibitors using unbiased molecular dynamics simulations
PLoS One
17
e0263251
2022
severe acute respiratory syndrome coronavirus (P0C6U8), Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
Abe, K.; Kabe, Y.; Uchiyama, S.; Iwasaki, Y.W.; Ishizu, H.; Uwamino, Y.; Takenouchi, T.; Uno, S.; Ishii, M.; Maruno, T.; Noda, M.; Murata, M.; Hasegawa, N.; Saya, H.; Kitagawa, Y.; Fukunaga, K.; Amagai, M.; Siomi, H.; Suematsu, M.; Kosaki, K.; Kosaki, K.
Pro108Ser mutation of SARS-CoV-2 3CLpro reduces the enzyme activity and ameliorates the clinical severity of COVID-19
Sci. Rep.
12
1299
2022
Severe acute respiratory syndrome coronavirus 2
Lewis, D.S.M.; Ho, J.; Wills, S.; Kawall, A.; Sharma, A.; Chavada, K.; Ebert, M.C.C.J.C.; Evoli, S.; Singh, A.; Rayalam, S.; Mody, V.; Taval, S.
Aloin isoforms (A and B) selectively inhibits proteolytic and deubiquitinating activity of papain like protease (PLpro) of SARS-CoV-2 in vitro
Sci. Rep.
12
2145
2022
Severe acute respiratory syndrome coronavirus 2
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