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(5-thiophen-2-ylisoxazol-3-yl)methanol
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4-phenyl-5-phenylimino-[1,2,4]dithiazolidin-3-one
i.e. HR19; strong, synthase III
5-chloro-4-phenyl-[1,2]-dithiol-3-one
complete inhibition at 0.01 nM, synthase III; i.e. HR12
acyl-CoA
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at high concentrations
butyryl-CoA
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synthase III mutants C122Aand C122Q: inhibition of decarboxylation activity in presence of
C75
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a synthetic inhibitor of fatty acid synthase, inhibits also the beta-ketoacyl synthase, not in simple first order rate reaction, C75 is a competitive, irreversible inhibitor of the overall reaction, the beta-ketoacyl synthase activity and the enoyl reductase activity substrates do not protect the thioesterase activity of rat liver FAS from inactivation by C75, but malonyl-CoA and acetyl-CoA protect the FAS beta-ketoacyl synthase reaction from inactivation by C75 in a competitive manner, overview
genistein
5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
isobutyryl-CoA
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synthase III mutants C122Aand C122Q: inhibition of decarboxylation activity in presence of
isorhamnetin
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
N-(3-pyridinyl)-hexanamide
result of an in silicio screening, antimicrobial activity, binding to beta-ketoacyl-[acyl-carrier-protein] synthase I characterized by saturation-transfer difference NMR spectroscopy
p-chloromercuribenzoate
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complete inhibition at 1 mM
palmitoyl-CoA
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substrate inhibition above 0.003 mM
thiolactomicin
thiolactomycin is an inhibitor of KAS I and inhibits bacterial cell growth through inhibition of the beta-ketoacyl-ACP synthase activity of type II fatty acids ynthases
Urea
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about 50% inhibition at 1 M, complete inactivation at 4 M
[Acyl-carrier-protein]
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wild-type synthase I and mutants, not mutants C163S and K328A, overview
arsenite
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arsenite
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synthase II and I
cerulenin
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synthase II, moderate
cerulenin
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no inhibition
cerulenin
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analysis of the binding mechanism, mimicks the condensation transition state; FabB: inhibition is irreversible
cerulenin
forms two hydrogen bonding interactions with H333 and backbone amide hydrogen of G391 and a hydrophobic interaction with M197, F229, and F231
cerulenin
irreversible inhibitor of beta-ketoacyl-ACP synthases I and II but is not a selective anti-bacterial because it is also a potent inhibitor of the condensation reaction catalyzed by the mammalian multifunctional (type I) fatty-acidsynthase
cerulenin
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50% inhibition at 0.2 mM
cerulenin
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irreversible inhibition, IC50: 0.0158 mM
cerulenin
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specific inhibition of the enzyme
cerulenin
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antibiotic, protection by hexanoyl-[acyl-carrier-protein], decanoyl-[acyl-carrier-protein], and tetradecanoyl-[acyl-carrier-protein]
cerulenin
weak, synthase III
cerulenin
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12-carbon mycotoxin, irreversible inhibition, binding motif; at 0.05 mM: wild-type is completely inactivated, mutant I108F and A193M show only 10% reduced activity
iodoacetamide
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no inhibition of malonyl-[acyl-carrier-protein]-decarboxylation
iodoacetamide
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acyl-[acyl-carrier-protein]-derivatives, e.g. acetyl-[acyl-carrier-protein], hexanoyl-CoA, octanoyl-CoA, decanoyl-CoA protect
iodoacetamide
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after incubation with 2-mercaptethanol
iodoacetamide
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acyl-[acyl-carrier-protein]-derivatives, e.g. acetyl-[acyl-carrier-protein], hexanoyl-CoA, octanoyl-CoA, decanoyl-CoA protect
iodoacetamide
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acyl-[acyl-carrier-protein]-derivatives, e.g. acetyl-[acyl-carrier-protein], hexanoyl-CoA, octanoyl-CoA, decanoyl-CoA protect; synthase I and II
N-ethylmaleimide
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no inhibition of malonyl-[acyl-carrier-protein]-decarboxylation
N-ethylmaleimide
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no inhibition of malonyl-[acyl-carrier-protein]-decarboxylation
N-ethylmaleimide
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acyl-[acyl-carrier-protein]-derivatives protect
N-ethylmaleimide
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after incubation with 2-mercaptoethanol
platencin
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platencin
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exhibits a broad-spectrum Gram-positive antibacterial activity through inhibition of fatty acid biosynthesis, targets the two essential proteins, beta-ketoacyl-[acyl carrier protein] synthase II and III, i.e. FabF and FabH, purified FabH IC50: 0.016 mM, overview
platensimycin
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SB418011
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SB418011
strong, synthase III
thiolactomycin
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thiolactomycin
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synthase III
thiolactomycin
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analysis of the binding mechanism, mimics malonyl-[acyl-carrier-protein]; FabB: inhibition is reversible, competitive
thiolactomycin
forms a hydrogen bonding with H333 and a hydrophobic interaction of Phe229 and Thr300 with ecKAS I
thiolactomycin
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competitive inhibition, IC50: 0.0236 mM
thiolactomycin
synthase III; weak
thiolactomycin
synthase III; weak
thiolactomycin
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synthase III
additional information
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inhibitor screening of 250000 synthetic compounds, enzyme-inhibitor binding study by NMR spectroscopy, three-dimensional structure of ecKAS I with inhibitors, overview. No or poor inhibition by 2-(2-methylanilino)-N'-[(E)-(6-methylpyridin-2-yl)methylidene]propanehydrazide, (5Z)-5-([4-[(propan-2-yl)oxy]phenyl]methylidene)-3-(prop-2-en-1-yl)-1,3-thiazolidine-2,4-dione, 1-[2-[4-(2-ethoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one, 2-(hexylcarbamoyl)cyclohexane-1-carboxylic acid, 2-[(4-methylbenzene-1-sulfonyl)methyl]prop-2-enamide, 2-([(E)-[(3-nitrophenyl)methylidene]amino]oxy)propanoic acid, 2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid, and N-(3-pyridinyl) hexanamide, the latter is though active against Staphylococcus aureus and Enterococcus faecalis
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additional information
inhibitor screening of 250000 synthetic compounds, enzyme-inhibitor binding study by NMR spectroscopy, three-dimensional structure of ecKAS I with inhibitors, overview. No or poor inhibition by 2-(2-methylanilino)-N'-[(E)-(6-methylpyridin-2-yl)methylidene]propanehydrazide, (5Z)-5-([4-[(propan-2-yl)oxy]phenyl]methylidene)-3-(prop-2-en-1-yl)-1,3-thiazolidine-2,4-dione, 1-[2-[4-(2-ethoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one, 2-(hexylcarbamoyl)cyclohexane-1-carboxylic acid, 2-[(4-methylbenzene-1-sulfonyl)methyl]prop-2-enamide, 2-([(E)-[(3-nitrophenyl)methylidene]amino]oxy)propanoic acid, 2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid, and N-(3-pyridinyl) hexanamide, the latter is though active against Staphylococcus aureus and Enterococcus faecalis
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additional information
screening of 50 flavonoids for inhibition potency against the enzyme, in silico molecular docking study, overview. Only genistein and isorhamnetin show inhibition as well as drug likeliness and bioavailability obeying the Lipinski's guidelines of five. No or poor effects by daidzein, luteolin, herbacetin, petunidin, herbacetin, malvidin, casticin, pinocembrin, kaempferol, butin, 7,3',4',5'-tetramethoxyflavanone, sternbin, galangin, dihydrooroxylin, naringenin, hispidulin, prunetin, 3,6-dihydroxyflavone, tricin, hesperetin, dihydroechioidinin 5,7-dihydroxytrimethoxyflavanone, liquiritigenin, diosmetin, isosakuranetin, dihydrowogonin, syringetin, chrysin, cajanin, naringenin trimethyl ether, pectolinarigenin, 3',4',5',5,7-pentamethoxyflavanone, glycitein, tectorigenin, 4'-hydroxy-5,6,7-trimethoxyflavanone, naringenin 5-methyl ether, 6,2',4'-trimethoxyflavanone, naringenin 7,4'-dimethyl ether, 7-hydroxyflavanone, 5,7-dihydroxyisoflavone, onysilin, and biochanin A
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additional information
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screening of 50 flavonoids for inhibition potency against the enzyme, in silico molecular docking study, overview. Only genistein and isorhamnetin show inhibition as well as drug likeliness and bioavailability obeying the Lipinski's guidelines of five. No or poor effects by daidzein, luteolin, herbacetin, petunidin, herbacetin, malvidin, casticin, pinocembrin, kaempferol, butin, 7,3',4',5'-tetramethoxyflavanone, sternbin, galangin, dihydrooroxylin, naringenin, hispidulin, prunetin, 3,6-dihydroxyflavone, tricin, hesperetin, dihydroechioidinin 5,7-dihydroxytrimethoxyflavanone, liquiritigenin, diosmetin, isosakuranetin, dihydrowogonin, syringetin, chrysin, cajanin, naringenin trimethyl ether, pectolinarigenin, 3',4',5',5,7-pentamethoxyflavanone, glycitein, tectorigenin, 4'-hydroxy-5,6,7-trimethoxyflavanone, naringenin 5-methyl ether, 6,2',4'-trimethoxyflavanone, naringenin 7,4'-dimethyl ether, 7-hydroxyflavanone, 5,7-dihydroxyisoflavone, onysilin, and biochanin A
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additional information
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the enzyme shows strong substrate inhibition
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additional information
inhibitor binding structure determination
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additional information
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inhibitor binding structure determination
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additional information
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in vivo inhibition assays, no inhibition by platensimycin
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