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Literature summary for 6.3.2.1 extracted from

  • Devi, P.B.; Samala, G.; Sridevi, J.P.; Saxena, S.; Alvala, M.; Salina, E.G.; Sriram, D.; Yogeeswari, P.
    Structure-guided design of thiazolidine derivatives as Mycobacterium tuberculosis pantothenate synthetase inhibitors (2014), ChemMedChem, 9, 2538-2547 .
    View publication on PubMed
Search for more literature for 6.3.2.1

Application

Application Comment Organism
drug development the enzyme is an appropriate target for development of therapeutics to treat tuberculosis Mycobacterium tuberculosis

Inhibitors

Inhibitors Comment Organism Structure
(3E)-3-[2-[(cyclohexylamino)(oxo)acetyl]hydrazinylidene]-N-[(4-methoxyphenyl)methyl]butanamide
-
 Mycobacterium tuberculosis
(3Z)-3-[2-[3-([(E)-[(4-methoxyphenyl)methylidene]amino]oxy)prop-1-en-2-yl]hydrazinylidene]-1,3-dihydro-2H-indol-2-one
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)propanoyl)-1-naphthohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)propanoyl)benzohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)propanoyl)isonicotinohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)propanoyl)nicotinohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(5-(4-(benzyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)-1-naphthohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(5-(4-(benzyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)benzohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(5-(4-(benzyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)isonicotinohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(5-(4-(benzyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)nicotinohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)-1-naphthohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)benzohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)isonicotinohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)nicotinohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-propanoyl)-1-naphthohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-propanoyl)benzohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-propanoyl)isonicotinohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-propanoyl)nicotinohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)-1-naphthohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)benzohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)isonicotinohydrazide
-
 Mycobacterium tuberculosis
(Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)nicotinohydrazide
-
 Mycobacterium tuberculosis
ethyl 2-[[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino]-1,3-benzothiazole-6-carboxylate
-
 Mycobacterium tuberculosis
additional information using energy-based pharmacophore modeling and in vitro screening, structure-guided design (PDB ID 1N2I)and synthesis of thiazolidine derivatives as Mycobacterium tuberculosis pantothenate synthetase inhibitors from a rational inhibitor design approach, overview Mycobacterium tuberculosis
N'-([[5-(4-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl]acetyl)pyridine-4-carbohydrazide
-
 Mycobacterium tuberculosis
N-[2-(cyclohexylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]-2-([2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl)-N-phenylacetamide
-
 Mycobacterium tuberculosis
[4-[2-(3,4-dihydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl](phenyl)methanone
-
 Mycobacterium tuberculosis

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+ required Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
ATP + (R)-pantoate + beta-alanine Mycobacterium tuberculosis
-
 AMP + diphosphate + (R)-pantothenate
-
 ?
ATP + (R)-pantoate + beta-alanine Mycobacterium tuberculosis ATCC 27294 / ATCC 25618 / H37Rv
-
 AMP + diphosphate + (R)-pantothenate
-
 ?

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis P9WIL5
-
-
Mycobacterium tuberculosis ATCC 27294 / ATCC 25618 / H37Rv P9WIL5
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP + (R)-pantoate + beta-alanine
-
 Mycobacterium tuberculosis AMP + diphosphate + (R)-pantothenate
-
 ?
ATP + (R)-pantoate + beta-alanine
-
 Mycobacterium tuberculosis ATCC 27294 / ATCC 25618 / H37Rv AMP + diphosphate + (R)-pantothenate
-
 ?

Synonyms

Synonyms Comment Organism
PanC
-
 Mycobacterium tuberculosis
Pantothenate synthetase
-
 Mycobacterium tuberculosis
Rv3602c
-
 Mycobacterium tuberculosis

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
37
-
 assay at Mycobacterium tuberculosis

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.8
-
 assay at Mycobacterium tuberculosis

Cofactor

Cofactor Comment Organism Structure
ATP
-
 Mycobacterium tuberculosis

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0012
-
 pH 7.8, 37°C Mycobacterium tuberculosis (Z)-N'-(3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoyl)nicotinohydrazide
0.00597
-
 pH 7.8, 37°C Mycobacterium tuberculosis (3Z)-3-[2-[3-([(E)-[(4-methoxyphenyl)methylidene]amino]oxy)prop-1-en-2-yl]hydrazinylidene]-1,3-dihydro-2H-indol-2-one
0.00767
-
 pH 7.8, 37°C Mycobacterium tuberculosis ethyl 2-[[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino]-1,3-benzothiazole-6-carboxylate
0.00892
-
 pH 7.8, 37°C Mycobacterium tuberculosis (3E)-3-[2-[(cyclohexylamino)(oxo)acetyl]hydrazinylidene]-N-[(4-methoxyphenyl)methyl]butanamide
0.02472
-
 pH 7.8, 37°C Mycobacterium tuberculosis [4-[2-(3,4-dihydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl](phenyl)methanone
0.02633
-
 pH 7.8, 37°C Mycobacterium tuberculosis N'-([[5-(4-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl]acetyl)pyridine-4-carbohydrazide
0.03878
-
 pH 7.8, 37°C Mycobacterium tuberculosis N-[2-(cyclohexylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]-2-([2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl)-N-phenylacetamide

General Information

General Information Comment Organism
physiological function the pantothenate biosynthetic pathway is essential for the persistent growth and virulence of Mycobacterium tuberculosis and one of the enzymes in the pathway Mycobacterium tuberculosis