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Literature summary extracted from

  • Nirmal, C.R.; Rao, R.; Hopper, W.
    Inhibition of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis: in silico screening and in vitro validation (2015), Eur. J. Med. Chem., 105, 182-193.
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.5.1.54 (2S)-2,7-bis(phosphonooxy)heptanoic acid
-
 Mycobacterium tuberculosis
2.5.1.54 3-pyridine carboxyaldehyde
-
 Mycobacterium tuberculosis
2.5.1.54 4-allylpyrocatechol
-
 Mycobacterium tuberculosis
2.5.1.54 7-O-methylwogonin
-
 Mycobacterium tuberculosis
2.5.1.54 allylpyrocatechol-3,4-diacetate
-
 Mycobacterium tuberculosis
2.5.1.54 alpha-tocopherol
-
 Mycobacterium tuberculosis
2.5.1.54 beta-glucogallin
-
 Mycobacterium tuberculosis
2.5.1.54 boeravione
-
 Mycobacterium tuberculosis
2.5.1.54 campesterol
-
 Mycobacterium tuberculosis
2.5.1.54 chlorogenic acid
-
 Mycobacterium tuberculosis
2.5.1.54 degalactotigonin
-
 Mycobacterium tuberculosis
2.5.1.54 eclalbasaponin I
-
 Mycobacterium tuberculosis
2.5.1.54 eupalitin-3-O-galactoside
-
 Mycobacterium tuberculosis
2.5.1.54 L-phenylalanine allosteric feedback inhibition Mycobacterium tuberculosis
2.5.1.54 L-tryptophan allosteric feedback inhibition Mycobacterium tuberculosis
2.5.1.54 L-tyrosine allosteric feedback inhibition Mycobacterium tuberculosis
2.5.1.54 additional information inhibitor screening, docking study, molecular dynamics and molecular modelling, induced fit docking scores, overview. alpha-Tocopherol, 3-pyridine carboxyaldehyde, and rutin can be drug leads to inhibit mtDAH7Ps in Mycobacterium tuberculosis Mycobacterium tuberculosis
2.5.1.54 negundiside
-
 Mycobacterium tuberculosis
2.5.1.54 rosamarinic acid
-
 Mycobacterium tuberculosis
2.5.1.54 rubiadin
-
 Mycobacterium tuberculosis
2.5.1.54 rutin
-
 Mycobacterium tuberculosis
2.5.1.54 stevioside
-
 Mycobacterium tuberculosis
2.5.1.54 tetrahydrocurcumin
-
 Mycobacterium tuberculosis

KM Value [mM]

EC Number KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
2.5.1.54 additional information
-
 additional information Michaelis-Menten kinetics Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.5.1.54 phosphoenolpyruvate + D-erythrose 4-phosphate + H2O Mycobacterium tuberculosis
-
 3-deoxy-D-arabino-hept-2-ulosonate 7-phospate + phosphate
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
2.5.1.54 Mycobacterium tuberculosis O53512 gene aroG
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.5.1.54 phosphoenolpyruvate + D-erythrose 4-phosphate + H2O
-
 Mycobacterium tuberculosis 3-deoxy-D-arabino-hept-2-ulosonate 7-phospate + phosphate
-
 ?

Synonyms

EC Number Synonyms Comment Organism
2.5.1.54 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase
-
 Mycobacterium tuberculosis
2.5.1.54 mtDAH7Ps
-
 Mycobacterium tuberculosis

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.5.1.54 0.021
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis alpha-tocopherol
2.5.1.54 0.042
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis rutin
2.5.1.54 0.054
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 3-pyridine carboxyaldehyde

General Information

EC Number General Information Comment Organism
2.5.1.54 metabolism the enzyme catalyzes the first step in shikimate pathway Mycobacterium tuberculosis