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Literature summary for 2.7.1.40 extracted from

  • El-Sayed, M.; Zoraghi, R.; Reiner, N.; Suzen, S.; Ohlsen, K.; Lalk, M.; Altanlar, N.; Hilgeroth, A.
    Novel inhibitors of the methicillin-resistant Staphylococcus aureus (MRSA)-pyruvate kinase (2016), J. Enzyme Inhib. Med. Chem., 31, 1666-1671 .
    View publication on PubMed
Search for more literature for 2.7.1.40

Inhibitors

Inhibitors Comment Organism Structure
(1S,3S)-1,3-di(1H-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole
-
 Staphylococcus aureus
(1S,3S)-2-bromo-1,3-di(1H-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole
-
 Staphylococcus aureus
(1S,3S)-2-chloro-1,3-di(1H-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole
-
 Staphylococcus aureus
(1S,4S)-1,4-di(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
-
 Staphylococcus aureus
(1S,4S)-6-chloro-1,4-bis(5-chloro-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
-
 Staphylococcus aureus
(6R,10S)-2-chloro-6,10-bis(5-chloro-1H-indol-3-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
-
 Staphylococcus aureus
(6R,10S)-3-chloro-6,10-bis(6-chloro-1H-indol-3-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
-
 Staphylococcus aureus
(6R,10S)-6,10-di(1H-indol-3-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
-
 Staphylococcus aureus
(6R,11S)-6,11-di(1H-indol-3-yl)-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole
-
 Staphylococcus aureus
additional information bisindolyl-cycloalkane indoles result from the reaction of aliphatic dialdehydes and indole. As bisindolyl-natural alkaloid compounds are inhibitors of the methicillin-resistant Staphylococcus aureus (MRSA)-pyruvate kinase (PK), analysis of the compounds as MRSA PK inhibitors, structure-activity relationships of structurally varied compounds, overview. MIC value (mg/ml) of the compounds versus Staphylococcus aureus strains ATCC 25923 and MRSA ATCC 43300. No inhibition by (1S,4S)-7-chloro-1,4-bis(6-chloro-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole Staphylococcus aureus

Metals/Ions

Metals/Ions Comment Organism Structure
Mg2+ required Staphylococcus aureus

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
ADP + phosphoenolpyruvate Staphylococcus aureus
-
 ATP + pyruvate
-
 ir
ADP + phosphoenolpyruvate Staphylococcus aureus ATCC 43300
-
 ATP + pyruvate
-
 ir

Organism

Organism UniProt Comment Textmining
Staphylococcus aureus
-
 MRSA
-
Staphylococcus aureus ATCC 43300
-
 MRSA
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ADP + phosphoenolpyruvate
-
 Staphylococcus aureus ATP + pyruvate
-
 ir
ADP + phosphoenolpyruvate
-
 Staphylococcus aureus ATCC 43300 ATP + pyruvate
-
 ir

Synonyms

Synonyms Comment Organism
MRSA PK
-
 Staphylococcus aureus

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
30
-
 assay at Staphylococcus aureus

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.5
-
 assay at Staphylococcus aureus

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0025
-
 precombinant enzyme, pH 7.5, 30°C Staphylococcus aureus (6R,10S)-3-chloro-6,10-bis(6-chloro-1H-indol-3-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
0.0026
-
 precombinant enzyme, pH 7.5, 30°C Staphylococcus aureus (6R,10S)-2-chloro-6,10-bis(5-chloro-1H-indol-3-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
0.0061
-
 precombinant enzyme, pH 7.5, 30°C Staphylococcus aureus (1S,3S)-2-bromo-1,3-di(1H-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole
0.0068
-
 precombinant enzyme, pH 7.5, 30°C Staphylococcus aureus (1S,3S)-2-chloro-1,3-di(1H-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole
0.0085
-
 precombinant enzyme, pH 7.5, 30°C Staphylococcus aureus (1S,4S)-1,4-di(1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
0.0102
-
 precombinant enzyme, pH 7.5, 30°C Staphylococcus aureus (6R,10S)-6,10-di(1H-indol-3-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
0.0113
-
 precombinant enzyme, pH 7.5, 30°C Staphylococcus aureus (6R,11S)-6,11-di(1H-indol-3-yl)-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole
0.0168
-
 precombinant enzyme, pH 7.5, 30°C Staphylococcus aureus (1S,3S)-1,3-di(1H-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole
0.05
-
 precombinant enzyme, pH 7.5, 30°C Staphylococcus aureus (1S,4S)-6-chloro-1,4-bis(5-chloro-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole

General Information

General Information Comment Organism
metabolism pyruvate kinase (PK) is an essential hub protein in the interactome of MRSA. PK plays a central role in the carbohydrate metabolism. It catalyzes the final rate-limiting step in the glycolysis which converts phosphoenolpyruvate (PEP) to pyruvate under ATP formation from ADP in an irreversible process Staphylococcus aureus
physiological function pyruvate kinase (PK) is an essential hub protein in the interactome of MRSA. PK plays a central role in the carbohydrate metabolism. It catalyzes the final rate-limiting step in the glycolysis which converts phosphoenolpyruvate (PEP) to pyruvate under ATP formation from ADP in an irreversible process Staphylococcus aureus