Please wait a moment until all data is loaded. This message will disappear when all data is loaded.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
(3R)-1-[(3-[(1R)-1-amino-2-[(3S,4R)-1-[[4-(aminomethyl)phenyl]methyl]-4-methylpyrrolidin-3-yl]ethyl]phenyl)methyl]piperidin-3-ol
-
inhibitor developed by fragment-based drug design
-
(3R,4R)-1-[[4-(aminomethyl)phenyl]methyl]-4-(2-[(1R,2Z)-2-[(5-hydroxy-2-methoxyphenyl)methylidene]cyclobutyl]ethyl)pyrrolidin-3-ol
-
inhibitor developed by fragment-based drug design
-
(3S)-1-[(3-[(1S)-1-amino-3-[(3S,4R)-1-[[4-(aminomethyl)phenyl]methyl]-4-methylpyrrolidin-3-yl]propyl]phenyl)methyl]piperidin-3-ol
-
inhibitor developed by fragment-based drug design
-
(3S)-3-(aminomethyl)-5-[(3R,4S)-1-[[4-(aminomethyl)phenyl]methyl]-4-methylpyrrolidin-3-yl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)pentan-1-one
-
inhibitor developed by fragment-based drug design
-
(3S)-4-[(3R)-3-amino-3-(4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl)propyl]-1-[[4-(aminomethyl)phenyl]methyl]pyrrolidin-3-ol
-
inhibitor developed by fragment-based drug design
-
(4S)-4-amino-5-[(3R,4S)-1-[[4-(aminomethyl)phenyl]methyl]-4-hydroxypyrrolidin-3-yl]-1-(1,4-dihydro-3H-2,3-benzoxazin-3-yl)pentan-1-one
-
inhibitor developed by fragment-based drug design
-
(4S)-4-amino-7-[(3R,4R)-1-[[4-(aminomethyl)phenyl]methyl]-4-hydroxypyrrolidin-3-yl]-1-(1,4-dihydro-3H-2,3-benzoxazin-3-yl)heptan-1-one
-
inhibitor developed by fragment-based drug design
-
10-hydroxyusambarensine
binding energy -10.4 kcal/mol, additionally binds to ACE2 and SARS-CoV-2 spike protein
-
2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-amine
-
compound exhibits a nearly effective TMPRSS2 inhibitory activity relative to tafenoquine , while it is deficient in SARS-CoV-2 main protease inhibition
-
3-[(Z)-[(2R,3R)-3-amino-2-[3-[(3S)-1-[[4-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]propyl]cyclobutylidene]methyl]-4-methoxyphenol
-
inhibitor developed by fragment-based drug design
-
5-[(1R,3R)-3-[[(3S)-3-acetamidopiperidin-1-yl]methyl]-1-aminocyclobutyl]-N-(2,3-dihydro-1H-isoindol-4-yl)-N2-methyl-D-norvalinamide
-
inhibitor developed by fragment-based drug design
-
5-[(1r,3S)-1-amino-3-[(2-methylpyridin-4-yl)amino]cyclobutyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-D-norvalinamide
-
inhibitor developed by fragment-based drug design
-
6-carbamimidoylnaphthalen-2-yl 2-chloro-4-[(diaminomethylidene)amino]benzoate
variant of inhibitors nafamostat, predicted binding energy -174.16 kcal/mol. EC50 value for inhibition of cytopathic effect caused by SARS-CoV-2 infection is 8 nM
-
6-carbamimidoylnaphthalen-2-yl 4-[(diaminomethylidene)amino]-2-methylbenzoate
variant of inhibitors nafamostat, predicted binding energy -172.38 kcal/mol. EC50 value for inhibition of cytopathic effect caused by SARS-CoV-2 infection is 15 nM
-
6-carbamimidoylnaphthalen-2-yl 4-[(diaminomethylidene)amino]-3-methylbenzoate
variant of inhibitors nafamostat, predicted binding energy -178.94 kcal/mol. EC50 value for inhibition of cytopathic effect caused by SARS-CoV-2 infection is 9.6 nM
-
alpha-1-antitrypsin
the reactive center loop of alpha-1-antitrypsin adopts an inhibitory-competent conformation compared with the crystal structure of TMPRSS2 bound to nafamostat or HAI-2 TMPRSS2 inhibitor. Negatively-charged heparin bridges adjacent electropositive patches at the TMPRSS2-alpha-1-antitrypsin interface, neutralizing otherwise repulsive forces. Heparinoid enoxaparin enhances alpha-1-antitrypsin inhibition of both TMPRSS2 activity and infection of human airway epithelial cells with coronavirus HCoV-229E
-
caffeic acid phenethyl ester
binds and stably interacts at the catalytic site of TMPRSS2, binding energy -6.2 kcal/mol, Gly464 and Ser436 are involved in hydrogen bond interactions
calmostat
topical TMPRSS2 inhibition when delivered in a clinically relevant and achievable dose to differentiated airways cells markedly restricts SARC-CoV-2 cellular infection
-
camostat
residues Asp435 and Glu299 significantly contribute to the binding. EC50 value for inhibition of cytopathic effect caused by SARS-CoV-2 infection is 66 nM
cryptoquindoline
binding energy -9.7 kcal/mol, additionally binds to ACE2 and SARS-CoV-2 spike protein
-
cryptospirolepine
binding energy -9.9 kcal/mol, additionally binds to ACE2 and SARS-CoV-2 spike protein
-
enoxaparin
heparinoid enoxaparin enhances alpha-1-antitrypsin inhibition of both TMPRSS2 activity and infection of human airway epithelial cells with coronavirus HCoV-229E
N-(6-carbamimidoylnaphthalen-2-yl)-4-[(diaminomethylidene)amino]benzamide
variant of inhibitors nafamostat, predicted binding energy -179.65 kcal/mol. EC50 value for inhibition of cytopathic effect caused by SARS-CoV-2 infection is 17 nM
-
N-(6-cyanonaphthalen-2-yl)-4-[(diaminomethylidene)amino]benzamide
variant of inhibitors nafamostat, predicted binding energy -127.92 kcal/mol
-
strychnopentamine
binding energy -8.8 kcal/mol, additionally binds to ACE2 and SARS-CoV-2 spike protein
-
tafenoquine
-
inhibits TMPRSS2 protease activity, tafenoquine may block SARS-CoV-2 by inhibiting enzymatic activities of both SARS-CoV-2 main protease and host TMPRSS2
-
withaferin A
binds and stably interacts at the catalytic site of TMPRSS2, binding energy -5.6 kcal/mol, residues Glu299 and Lys342 are mainly involved in polar interactions
withanone
binds and stably interacts at the catalytic site of TMPRSS2 and is able to induce changes in its allosteric site. Docking score is -4.3 kcal/nmol, Gly462 of TMPRSS2 is involved in the polar interactions. Withanone downregulates the expression of TMPRSS2 in MCF7 cells
-
camostat mesylate
docking score -5.9 kcal/mol, residue Gly464 forms a hydrogen bond
Nafamostat
-
Nafamostat
formation of a covalent bond between its acyl substructure and Ser441 in TMPRSS2. Residue Asp435 significantly contributes to the binding. EC50 value for inhibition of cytopathic effect caused by SARS-CoV-2 infection is 11 nM
additional information
-
homology modeling of TMPRSS2 protein and application of the fragment-based drug design technique to develop effective TMPRSS2 inhibitors reveals 10 molecules with docking score below -14.982 kcal/mol compared to ambroxol with a docking score of - 6.464 kcal/mol
-
additional information
synthesis of variants of inhibitors nafamostat and camostat. Their predicted binding affinity does not correlate with their anti-SARS-CoV-2 activity. The substitution of the ester bond with an amide bond in nafamostat results in significantly weakened anti-SARS-CoV-2 activity
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
medicine
17-beta-estradiol may reduce SARS-CoV-2 infection of lung epithelial cells
medicine
brief exposure to topical camostat, an orally available serine protease inhibitor, effectively restricts SARS-CoV-2 infection in differentiated primary human airway epithelial cells. Topical TMPRSS2 inhibition when delivered in a clinically relevant and achievable dose to differentiated airways cells markedly restricts SARC-CoV-2 cellular infection. Enzalutamide, an oral androgen receptor antagonist, has no impact on SARS-CoV-2 infection
medicine
-
expression of both ACE2 and TMPRSS2 genes is necessary to support SARS-CoV-2 infection and replication in DF1 cells and a nonpermissive sub-lineage of MDCK cells. Titers of SARS-CoV-2 in these cell lines are comparable to those observed in control Vero cells
medicine
expression of both ACE2 and TMPRSS2 genes is necessary to support SARS-CoV-2 infection and replication in DF1 cells and a nonpermissive sub-lineage of MDCK cells. Titers of SARS-CoV-2 in these cell lines are comparable to those observed in control Vero cells
medicine
expression of both ACE2 and TMPRSS2 genes is necessary to support SARS-CoV-2 infection and replication in DF1 cells and a nonpermissive sub-lineage of MDCK cells. Titers of SARS-CoV-2 in these cell lines are comparable to those observed in control Vero cells
medicine
expression of both ACE2 and TMPRSS2 genes is necessary to support SARS-CoV-2 infection and replication in DF1 cells and a nonpermissive sub-lineage of MDCK cells. Titers of SARS-CoV-2 in these cell lines are comparable to those observed in control Vero cells. Permissive replication of SARS-CoV-2 is not found in pig or horse. Cells expressing genes from either bat species tested demonstrate temporal replication of SARS-CoV-2 that peaks early and is not sustained
medicine
in lung tissues collected from mice that were sub-chronically exposed to air or 0.8 ppm ozone for three weeks, the TMPRSS2 protein and Tmprss2 transcripts are significantly elevated in the extrapulmonary airways, parenchyma, and alveolar macrophages. A significant proportion of additional known SARS-CoV-2 host susceptibility genes are upregulated in alveolar macrophages and parenchyma from ozone-exposed mice
medicine
in tumor and adjacent lung tissues from non-small cell lung cancer patients, lower TMPRSS2 expression in tumor compared to adjacent non-tumor tissues is linked to a poor overall survival in patients with adenocarcinoma and those who are current smokers. A slight negative correlation between full-length TMPRSS2 and alpha-1-antitrypsin in non-tumor tissues seems to be related to smoking status
medicine
lower levels of sTMPRSS2 are noted in patients below 70 years and those with eosinophilic asthma, while no association is found between inhaled corticosteroids use and serum TMPRSS2. The level of serum TMPRSS2 also differs according to sex, smoking history, coexisting hypertension, and forced expiratory volume in 1 second/forced vital capacity ratio
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
David, A.; Parkinson, N.; Peacock, T.; Pairo-Castineira, E.; Khanna, T.; Cobat, A.; Tenesa, A.; Sancho-Shimizu, V.; Casanova, J.; Abel, L.; Barclay, W.; Baillie, J.; Sternberg, M.
A common TMPRSS2 variant has a protective effect against severe COVID-19
Curr. Res. Transl. Med.
70
103333
2022
Homo sapiens (O15393)
brenda
Baristaite, G.; Gurwitz, D.
Estradiol reduces ACE2 and TMPRSS2 mRNA levels in A549 human lung epithelial cells
Drug Dev. Res.
2022
1-6
2022
Homo sapiens (O15393)
brenda
Alzain, A.A.; Elbadwi, F.A.; Alsamani, F.O.
Discovery of novel TMPRSS2 inhibitors for COVID-19 using in silico fragment-based drug design, molecular docking, molecular dynamics, and quantum mechanics studies
Inform. Med. Unlocked
29
100870
2022
Homo sapiens
brenda
Schneider, M.A.; Richtmann, S.; Gruending, A.R.; Wrenger, S.; Welte, T.; Meister, M.; Kriegsmann, M.; Winter, H.; Muley, T.; Janciauskiene, S.
Transmembrane serine protease 2 is a prognostic factor for lung adenocarcinoma
Int. J. Oncol.
60
39
2022
Homo sapiens (O15393)
brenda
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
Homo sapiens
brenda
Kumar, V.; Dhanjal, J.; Bhargava, P.; Kaul, A.; Wang, J.; Zhang, H.; Kaul, S.; Wadhwa, R.; Sundar, D.
Withanone and Withaferin-A are predicted to interact with transmembrane protease serine 2 (TMPRSS2) and block entry of SARS-CoV-2 into cells
J. Biomol. Struct. Dyn.
40
1-13
2022
Homo sapiens (O15393)
brenda
Gyebi, G.A.; Adegunloye, A.P.; Ibrahim, I.M.; Ogunyemi, O.M.; Afolabi, S.O.; Ogunro, O.B.
Prevention of SARS-CoV-2 cell entry insight from in silico interaction of drug-like alkaloids with spike glycoprotein, human ACE2, and TMPRSS2
J. Biomol. Struct. Dyn.
40
2121-2145
2022
Homo sapiens (O15393)
brenda
Lee, J.H.; Lee, C.E.; Yoo, Y.; Shin, E.; An, J.; Park, S.Y.; Song, W.J.; Kwon, H.S.; Cho, Y.S.; Moon, H.B.; Kim, T.B.
Soluble ACE2 and TMPRSS2 levels in the serum of asthmatic patients
J. Korean Med. Sci.
37
e65
2022
Homo sapiens (O15393)
brenda
Salleh, M.Z.; Deris, Z.Z.
In silico molecular characterization of human TMPRSS2 protease polymorphic variants and associated SARS-CoV-2 susceptibility
Life
12
231
2022
Homo sapiens (O15393)
brenda
Guo, W.; Porter, L.M.; Crozier, T.W.; Coates, M.; Jha, A.; McKie, M.; Nathan, J.A.; Lehner, P.J.; Greenwood, E.J.; McCaughan, F.
Topical TMPRSS2 inhibition prevents SARS-CoV-2 infection in differentiated human airway cultures
Life Sci. Alliance
5
e202101116
2022
Homo sapiens (O15393)
brenda
Park, G.C.; Bang, S.Y.; Lee, H.W.; Choi, K.U.; Kim, J.M.; Shin, S.C.; Cheon, Y.I.; Sung, E.S.; Lee, M.; Lee, J.C.; Kim, H.S.; Lee, B.J.
ACE2 and TMPRSS2 immunolocalization and oral manifestations of COVID-19
Oral Dis.
2022
1-9
2022
Homo sapiens (O15393)
brenda
Vo, T.; Paudel, K.; Choudhary, I.; Patial, S.; Saini, Y.
Ozone exposure upregulates the expression of host susceptibility protein TMPRSS2 to SARS-CoV-2
Sci. Rep.
12
1357
2022
Mus musculus (Q9JIQ8)
brenda
Bai, X.; Buckle, A.M.; Vladar, E.K.; Janoff, E.N.; Khare, R.; Ordway, D.; Beckham, D.; Fornis, L.B.; Majluf-Cruz, A.; Fugit, R.V.; Freed, B.M.; Kim, S.; Sandhaus, R.A.; Chan, E.D.
Enoxaparin augments alpha-1-antitrypsin inhibition of TMPRSS2, a promising drug combination against COVID-19
Sci. Rep.
12
5207
2022
Homo sapiens (O15393)
brenda
Kapczynski, D.R.; Sweeney, R.; Spackman, E.; Pantin-Jackwood, M.; Suarez, D.L.
Development of an in vitro model for animal species susceptibility to SARS-CoV-2 replication based on expression of ACE2 and TMPRSS2 in avian cells
Virology
569
1-12
2022
Mesocricetus auratus, Capra hircus (A0A452FYA6), Homo sapiens (O15393), Felis catus (Q56H28)
brenda
Fujimoto, K.J.; Hobbs, D.C.F.; Umeda, M.; Nagata, A.; Yamaguchi, R.; Sato, Y.; Sato, A.; Ohmatsu, K.; Ooi, T.; Yanai, T.; Kimura, H.; Murata, T.
In silico analysis and synthesis of nafamostat derivatives and evaluation of their anti-SARS-CoV-2 activity
Viruses
14
389
2022
Homo sapiens (O15393)
brenda