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(2R)-2-[[(2S)-2-([[(2R,3R,4R,5S,6R)-5-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-[(1S)-1-carboxyethoxy]-2-[[(hexadecyloxy)(hydroxy)phosphoryl]oxy]-6-(hydroxymethyl)oxan-3-yl]carbamoyl]amino)propanoyl]amino]pentanedioic acid
-
-
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R,3R,4R,5S,6R)-3-acetamido-2-([[(2R)-2-carboxy-2-(hexadecyloxy)ethoxy](hydroxy)phosphoryl]oxy)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy]propanoyl]amino]propanoyl]amino]pentanedioic acid
-
-
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R,3R,4R,5S,6R)-3-acetamido-2-[[(hexadecyloxy)(hydroxy)phosphoryl]oxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy]propanoyl]amino]propanoyl]amino]pentanedioic acid
-
-
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R,3S,4R,5R,6R)-3-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-5-(2-carboxyethyl)-6-([[(2R)-2-carboxy-2-(pentadecyloxy)ethoxy](hydroxy)phosphoryl]oxy)-2-(hydroxymethyl)oxan-4-yl]oxy]propanoyl]amino]propanoyl]amino]pentanedioic acid
-
-
(2R,3'R)-3-(3-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)propylphosphinato)-2-(3',7'-dimethyloctyloxy)propanoic acid
-
0.1 mM, 25% inhibition, 0.2 mM, 37% inhibition
(2R,3'R)-3-[3-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)propylphosphinato]-2-(3',7'-dimethyloctyloxy)propanoic acid
-
0.1 mM., 25% inhibition, 0.2 mM, 61% inhibition
(3E,7E,14E)-4,9,9,15,19-pentamethyl-12-methylideneicosa-3,7,14,18-tetraen-1-yl (2R)-3-[[[[(2R,3R,4S,5S,6S)-6-carbamoyl-3-[[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-([[3-(trifluoromethyl)phenyl]carbonyl]amino)tetrahydro-2H-pyran-2-yl]oxy]-5-hydroxy-4-([[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]carbamoyl]amino)tetrahydro-2H-pyran-2-yl]oxy](hydroxy)phosphoryl]oxy]-2-hydroxypropanoate
(3Z)-5-(4-bromophenyl)-3-[(5-nitrofuran-2-yl)methylidene]furan-2(3H)-one
(4Z)-2,5-diphenyl-4-[2-(1,3-thiazol-2-yl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one
(E)-2-(1-(2-isobutoxyphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
(E)-2-(1-(4-(3-hydroxypropyl)phenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
(E)-2-(1-(4-(ethoxymethyl)phenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
(E)-2-(1-(4-(hydroxymethyl)phenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
(E)-2-(1-(4-(methoxymethoxy)phenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
(E)-2-(1-(4-(methoxymethyl)phenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
(E)-2-(1-(4-(sec-butyl)phenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
(E)-2-(1-(4-(tert-butoxymethyl)phenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
(E)-2-(1-(4-butylphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
binding structure, modeling
(E)-2-(1-(4-ethoxyphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
(E)-2-(1-(4-ethylphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
(E)-2-(1-(4-hexylphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
(E)-2-(1-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
(E)-2-(1-(4-octylphenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
(E)-2-(1-(naphthalen-1-yl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
(E)-2-(1-(naphthalen-2-yl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide
-
(E)-2-(3-(2-carbamimidoylhydrazineylidene)-2-oxoindolin-1-yl)-N-(3-(trifluoromethyl)phenyl)acetamide
-
(E)-2-(3-(2-carbamimidoylhydrazineylidene)-2-oxoindolin-1-yl)-N-(3-ethylphenyl)acetamide
-
(E)-2-(3-(2-carbamimidoylhydrazineylidene)-2-oxoindolin-1-yl)-N-(naphthalen-2-yl)acetamide
-
(E)-2-(3-(2-carbamimidoylhydrazineylidene)-5-methyl-2-oxoindolin-1-yl)-N-(3-nitrophenyl)acetamide
-
(R)-3-((2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1-4)-alpha-D-glucopyranosyl)methylphosphinato)-2-octyloxypropanoic acid
-
0.1 mM, 17% inhibition
(R)-3-[3-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl)propylphosphinato]-2-octyloxypropanoic acid
-
0.1 mM, 10% inhibition
(Z)-2-(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxymethyl-3-tetradecylbutenedioic acid dilithium salt
-
0.1 mM, 28% inhibition
(Z)-2-farnesyl-3-methylbutenedioic acid dilithium salt
-
weak inhibition
(Z)-2-geranyl-3-methylbutenedioic acid dilithium salt
-
0.1 mM, 12% inhibition
(Z)-2-nerolyl-3-methylbutenedioic acid dilithium salt
-
0.1 mM, 17% inhibition
2-(3-(2-carbamimidoylhydrazono)-2-oxoindolin-1-yl)-N-(3-nitrophenyl)acetamide
2-(3-(2-carbamimidoylhydrazono)-2-oxoindolin-1-yl)-N-(m-tolyl)acetamide
2-acetamido-3-O-[(1S)-1-carboxyethyl]-1-O-[[(2R)-2-carboxy-2-(hexadecyloxy)ethoxy](hydroxy)phosphoryl]-2-deoxy-alpha-D-glucopyranose
-
-
2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-3-O-[(1S)-1-carboxyethyl]-2-deoxy-1-O-[(hexadecyloxy)(hydroxy)phosphoryl]-alpha-D-glucopyranose
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4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-(carboxyamino)-3-O-[(1S)-1-carboxyethyl]-1-O-[[(2R)-2-carboxy-2-(pentadecyloxy)ethoxy](hydroxy)phosphoryl]-2-deoxy-alpha-D-glucopyranose
-
-
4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid
4-[3-amino-3-([1,1'-biphenyl]-4-yl)propanamido]-1,5-anhydro-2,4-dideoxy-3-O-[2-deoxy-2-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-beta-D-glucopyranosyl]-2-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-D-galactitol
chaetomellic acid A dilithium salt
-
weak inhibition
chlorobiphenyl desleucyl vancomycin
chlorobiphenyl disaccharide
chlorobiphenyl vancomycin
Dimethylsulfoxide
-
in the presence of 0.05% N-lauroylsarcosine
neryl-moenomycin A
active site inhibitor
Sodium 1,2-cyclohexanediamine-N,N,N',N'-tetraacetic acid
-
in the absence of detergents, stimulates in the presence of high concentrations of methanol and detergents
sodium deoxycholate
-
in the presence of methanol, inhibits at 0.5%
(3E,7E,14E)-4,9,9,15,19-pentamethyl-12-methylideneicosa-3,7,14,18-tetraen-1-yl (2R)-3-[[[[(2R,3R,4S,5S,6S)-6-carbamoyl-3-[[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-([[3-(trifluoromethyl)phenyl]carbonyl]amino)tetrahydro-2H-pyran-2-yl]oxy]-5-hydroxy-4-([[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]carbamoyl]amino)tetrahydro-2H-pyran-2-yl]oxy](hydroxy)phosphoryl]oxy]-2-hydroxypropanoate
-
-
(3E,7E,14E)-4,9,9,15,19-pentamethyl-12-methylideneicosa-3,7,14,18-tetraen-1-yl (2R)-3-[[[[(2R,3R,4S,5S,6S)-6-carbamoyl-3-[[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-([[3-(trifluoromethyl)phenyl]carbonyl]amino)tetrahydro-2H-pyran-2-yl]oxy]-5-hydroxy-4-([[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]carbamoyl]amino)tetrahydro-2H-pyran-2-yl]oxy](hydroxy)phosphoryl]oxy]-2-hydroxypropanoate
-
-
(3E,7E,14E)-4,9,9,15,19-pentamethyl-12-methylideneicosa-3,7,14,18-tetraen-1-yl (2R)-3-[[[[(2R,3R,4S,5S,6S)-6-carbamoyl-3-[[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-([[3-(trifluoromethyl)phenyl]carbonyl]amino)tetrahydro-2H-pyran-2-yl]oxy]-5-hydroxy-4-([[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]carbamoyl]amino)tetrahydro-2H-pyran-2-yl]oxy](hydroxy)phosphoryl]oxy]-2-hydroxypropanoate
-
-
(3E,7E,14E)-4,9,9,15,19-pentamethyl-12-methylideneicosa-3,7,14,18-tetraen-1-yl (2R)-3-[[[[(2R,3R,4S,5S,6S)-6-carbamoyl-3-[[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-([[3-(trifluoromethyl)phenyl]carbonyl]amino)tetrahydro-2H-pyran-2-yl]oxy]-5-hydroxy-4-([[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]carbamoyl]amino)tetrahydro-2H-pyran-2-yl]oxy](hydroxy)phosphoryl]oxy]-2-hydroxypropanoate
-
-
(3E,7E,14E)-4,9,9,15,19-pentamethyl-12-methylideneicosa-3,7,14,18-tetraen-1-yl (2R)-3-[[[[(2R,3R,4S,5S,6S)-6-carbamoyl-3-[[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-([[3-(trifluoromethyl)phenyl]carbonyl]amino)tetrahydro-2H-pyran-2-yl]oxy]-5-hydroxy-4-([[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]carbamoyl]amino)tetrahydro-2H-pyran-2-yl]oxy](hydroxy)phosphoryl]oxy]-2-hydroxypropanoate
-
-
(3Z)-5-(4-bromophenyl)-3-[(5-nitrofuran-2-yl)methylidene]furan-2(3H)-one
-
-
(3Z)-5-(4-bromophenyl)-3-[(5-nitrofuran-2-yl)methylidene]furan-2(3H)-one
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-
(3Z)-5-(4-bromophenyl)-3-[(5-nitrofuran-2-yl)methylidene]furan-2(3H)-one
-
-
(3Z)-5-(4-bromophenyl)-3-[(5-nitrofuran-2-yl)methylidene]furan-2(3H)-one
-
-
(3Z)-5-(4-bromophenyl)-3-[(5-nitrofuran-2-yl)methylidene]furan-2(3H)-one
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-
(4Z)-2,5-diphenyl-4-[2-(1,3-thiazol-2-yl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one
-
-
(4Z)-2,5-diphenyl-4-[2-(1,3-thiazol-2-yl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one
-
-
(4Z)-2,5-diphenyl-4-[2-(1,3-thiazol-2-yl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one
-
-
(4Z)-2,5-diphenyl-4-[2-(1,3-thiazol-2-yl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one
-
-
(4Z)-2,5-diphenyl-4-[2-(1,3-thiazol-2-yl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one
-
-
2-(3-(2-carbamimidoylhydrazono)-2-oxoindolin-1-yl)-N-(3-nitrophenyl)acetamide
-
an isatin derivative, active against Gram-positive Bacillus subtilis and Staphylococcus aureus
2-(3-(2-carbamimidoylhydrazono)-2-oxoindolin-1-yl)-N-(3-nitrophenyl)acetamide
-
an isatin derivative, active against Gram-positive Bacillus subtilis and Staphylococcus aureus
2-(3-(2-carbamimidoylhydrazono)-2-oxoindolin-1-yl)-N-(m-tolyl)acetamide
-
an isatin derivative, active against Gram-positive Bacillus subtilis and Staphylococcus aureus with MIC values of 0.024 and 0.048 mg/ml, respectively
2-(3-(2-carbamimidoylhydrazono)-2-oxoindolin-1-yl)-N-(m-tolyl)acetamide
-
an isatin derivative, active against Gram-positive Bacillus subtilis and Staphylococcus aureus with MIC values of 0.024 and 0.048 mg/ml, respectively
4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid
-
-
4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid
-
-
4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid
-
-
4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid
-
-
4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid
-
-
4-[3-amino-3-([1,1'-biphenyl]-4-yl)propanamido]-1,5-anhydro-2,4-dideoxy-3-O-[2-deoxy-2-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-beta-D-glucopyranosyl]-2-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-D-galactitol
-
-
4-[3-amino-3-([1,1'-biphenyl]-4-yl)propanamido]-1,5-anhydro-2,4-dideoxy-3-O-[2-deoxy-2-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-beta-D-glucopyranosyl]-2-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-D-galactitol
-
-
AC326-alpha
-
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ACL19098
-
-
ACL19109
-
-
ACL19110
-
-
ACL19243
-
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ACL19273
-
-
ACL19336
-
-
chlorobiphenyl desleucyl vancomycin
-
-
chlorobiphenyl desleucyl vancomycin
-
-
chlorobiphenyl desleucyl vancomycin
-
-
chlorobiphenyl desleucyl vancomycin
-
-
chlorobiphenyl desleucyl vancomycin
-
-
chlorobiphenyl disaccharide
-
-
chlorobiphenyl disaccharide
-
-
chlorobiphenyl disaccharide
-
-
chlorobiphenyl disaccharide
-
-
chlorobiphenyl disaccharide
-
-
chlorobiphenyl vancomycin
-
-
chlorobiphenyl vancomycin
-
-
chlorobiphenyl vancomycin
-
-
chlorobiphenyl vancomycin
-
-
chlorobiphenyl vancomycin
-
-
EDTA
-
in the absence of detergents, stimulates in the presence of high concentrations of methanol and detergents
EDTA
-
the enzyme is almost inactive in presence of EDTA
Garneau-5
-
-
HTS6
-
-
HTS7
-
-
HTS8
-
-
macarbomycin
-
-
mersacidin
-
a lantibiotic
-
mersacidin
-
a lantibiotic
-
Moenomycin
-
re-docking of the inhibitor
Moenomycin
-
coupled transglycosylasetranspeptidase
Moenomycin
-
no inhibition
Moenomycin
-
75 nM, 50% inhibition
Moenomycin
-
moenomycin A inhibits the transglycosylation step by binding to the donor site of the glycosyltransferase
Moenomycin
-
re-docking of the inhibitor
moenomycin A
active site inhibitor
moenomycin A
-
moenomycins are phosphoglycolipid antibiotics that directly bind to PGT enzymes. Moenomycins are produced by certain Streptomyces species as a complex of related compounds in which moenomycin A is the major form
moenomycin A
natural product inhibitor
moenomycin A
-
moenomycins are phosphoglycolipid antibiotics that directly bind to PGT enzymes. Moenomycins are produced by certain Streptomyces species as a complex of related compounds in which moenomycin A is the major form
moenomycin A
-
binding structure, PDB 3HZS
moenomycin disaccharide
-
-
moenomycin disaccharide
-
-
moenomycin disaccharide
-
-
moenomycin disaccharide
-
-
moenomycin disaccharide
-
-
moenomycin trisaccharide
-
-
moenomycin trisaccharide
-
-
moenomycin trisaccharide
-
-
moenomycin trisaccharide
-
-
moenomycin trisaccharide
-
-
penicillin
-
coupled transglycosylasetranspeptidase
Triton X-100
-
inhibits at 0.1%
Triton X-100
-
up to 0.6%
TS30153
-
-
Vancomycin
-
-
Vancomycin
-
a glycopeptide
Vancomycin
-
a glycopeptide
additional information
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synthesis of diverse isatin derivatives, MIC values for activity against Gram-positive Bacillus subtilis and Staphylococcus aureus, most compounds are poorly active, overview
-
additional information
-
molecular docking and modelling study using the structure of PBP1b, PDB ID 3VMA. NMR and mass spectrometric analysis of enzyme-inhibitor binding; PGT enzymes can be inhibited directly by compounds binding to the enzyme and indirectly by compounds binding to the lipid II substrate. Development of glycosyltransferase enzymatic activity and binding assays using the natural products moenomycin and vancomycin as model inhibitors. Design of a library of disaccharide compounds based on the minimum moenomycin fragment with peptidoglycan glycosyltransferase inhibitory activity and based on a more drug-like and synthetically versatile disaccharide building block. A subset of these disaccharide compounds bind and inhibit the glycosyltransferase enzyme. Inhibitor-enzyme binding structure analysis by 1H NMR spectral data and using crystal structure PDB ID 3VMA. MIC values with strain imp mutant BAS849
-
additional information
hydrophobic substituents on isatin derivatives enhance their inhibition against bacterial peptidoglycan glycosyltransferase activity. 20 amphiphilic compounds are systematically designed and the relationship between molecular hydrophobicity and the antibacterial activity by targeting at PGT is demonstrated, inhibitor synthesis, antimicrobial activity and MIC values, and structure-activity relationships, overview. Docking study and molecular modeling using the structure of Escherichia coli PBP1b, PBP ID 3VMA, as template. Diffusion to the PGT target is hindered by the inefficiency to pass through the periplasmic region of the Gram-negative bacteria
-
additional information
-
hydrophobic substituents on isatin derivatives enhance their inhibition against bacterial peptidoglycan glycosyltransferase activity. 20 amphiphilic compounds are systematically designed and the relationship between molecular hydrophobicity and the antibacterial activity by targeting at PGT is demonstrated, inhibitor synthesis, antimicrobial activity and MIC values, and structure-activity relationships, overview. Docking study and molecular modeling using the structure of Escherichia coli PBP1b, PBP ID 3VMA, as template. Diffusion to the PGT target is hindered by the inefficiency to pass through the periplasmic region of the Gram-negative bacteria
-
additional information
inhibitory effect of high detergent concentration on the enzyme activity. 25% Dimethylsulfoxide (DMSO) abrogates this detergent effect
-
additional information
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several analogues of the enzyme's lipid II substrate are synthesized previously and found to inhibit the enzyme activity in vitro and cause bacterial growth defect, overview
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additional information
-
synthesis of diverse isatin derivatives, MIC values for activity against Gram-positive Bacillus subtilis and Staphylococcus aureus, most compounds are poorly active, overview
-
additional information
-
molecular docking and modelling study using the structure of MGT, PDB ID 3HZS. NMR and mass spectrometric analysis of enzyme-inhibitor binding. IC50 Inhibitory curves for MGT against moenomycin complex and vancomycin, overview; PGT enzymes can be inhibited directly by compounds binding to the enzyme and indirectly by compounds binding to the lipid II substrate. Development of glycosyltransferase enzymatic activity and binding assays using the natural products moenomycin and vancomycin as model inhibitors. Design of a library of disaccharide compounds based on the minimum moenomycin fragment with peptidoglycan glycosyltransferase inhibitory activity and based on a more drug-like and synthetically versatile disaccharide building block. A subset of these disaccharide compounds bind and inhibit the glycosyltransferase enzyme. Inhibitor-enzyme binding structure analysis by 1H NMR spectral data and using crystal structure PDB ID 3HZS. MIC values with strain ATCC 29213
-