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Literature summary extracted from

  • Enriquez-Mendiola, D.; Tellez-Valencia, A.; Sierra-Campos, E.; Campos-Almazan, M.; Valdez-Solana, M.; Gomez Palacio-Gastelum, M.; Avitia-Dominguez, C.
    Kinetic and molecular dynamic studies of inhibitors of shikimate dehydrogenase from methicillin-resistant Staphylococcus aureus (2019), Chem. Biol. Drug Des., 94, 1504-1517 .
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.1.1.25 1,3-benzodioxole-5-carbothioamide the compound shows higher affinity for the shikimate binding site than for the NADP+ binding site, mixed full inhibition mechanism versus shikimate, non-competitive full inhibition mechanism versus NADP+, interaction analysis and enzyme-bound structure, overview. 75% inhibition at 0.4 mM Staphylococcus aureus
1.1.1.25 5-[4-(1H-imidazol-2-ylcarbonyl)phenyl]thiophene-2-carboxylic acid the compound shows higher affinity for the shikimate binding site than for the NADP+ binding site, uncompetitive full inhibition versus shikimate and mixed full inhibition versus NADP+, interaction analysis and enzyme-bound structure, overview. 98% inhibition at 0.4 mM Staphylococcus aureus
1.1.1.25 6-(2,6-dichlorophenoxy) pyridin-3-amine 60% inhibition at 0.4 mM Staphylococcus aureus
1.1.1.25 6-amino-1,2,3,4-tetrahydronaphthalen-1-one the compound presents a higher affinity for NADP+ binding site than for shikimate binding, mixed partial inhibition mechanism versus NADP+ and mixed full versus shikimate, interaction analysis and enzyme-bound structure, overview. 91% inhibition at 0.4 m Staphylococcus aureus
1.1.1.25 6-hydroxy-1-benzofuran-3(2H)-one
-
 Staphylococcus aureus
1.1.1.25 6-hydroxy-7-methyl-1-benzofuran-3(2H)-one mixed partial inhibition mechanism versus NADP+ and shikimate, interaction analysis and enzyme bound structure, overview. 98% inhibition at 0.4 mM Staphylococcus aureus
1.1.1.25 7-hydroxy-2,2,8-trimethyl-2,3-dihydro-4H-1-benzopyran-4-one
-
 Staphylococcus aureus
1.1.1.25 cyclopropyl(5-hydroxy-1-benzofuran-3-yl)methanone 32% inhibition at 0.4 mM Staphylococcus aureus
1.1.1.25 ethyl 5-(1H-pyrazol-3-yl)thiophene-2-carboxylate 28% inhibition at 0.4 mM Staphylococcus aureus
1.1.1.25 additional information structure-based inhibitor design, small-molecule library screening, inhibition mechanism analysis Staphylococcus aureus
1.1.1.25 N-methyl-N-(quinolin-6-ylmethyl)amine 63% inhibition at 0.4 mM Staphylococcus aureus
1.1.1.25 N-[2,2-dimethyl-6-(1-methyldioxidan-1-ium-1-yl)-3,4-dihydro-2H-1-benzopyran-4-yl]-N2-methyl-N2-[(pyridin-2-yl)methyl]glycinamide 34% inhibition at 0.4 mM Staphylococcus aureus
1.1.1.25 [2,2'-bithiophene]-5-carboxylic acid
-
 Staphylococcus aureus
1.1.1.25 [4-(4-methylperhydro-1,4-diazepin-1-yl)phenyl]methanol 67% inhibition at 0.4 mM Staphylococcus aureus

KM Value [mM]

EC Number KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
1.1.1.25 additional information
-
 additional information Michaelis-Menten kinetics Staphylococcus aureus

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
1.1.1.25 shikimate + NADP+ Staphylococcus aureus
-
 3-dehydroshikimate + NADPH + H+
-
 r

Organism

EC Number Organism UniProt Comment Textmining
1.1.1.25 Staphylococcus aureus
-
 MRSA
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.1.1.25 shikimate + NADP+
-
 Staphylococcus aureus 3-dehydroshikimate + NADPH + H+
-
 r

Synonyms

EC Number Synonyms Comment Organism
1.1.1.25 SaSDH
-
 Staphylococcus aureus
1.1.1.25 SDH
-
 Staphylococcus aureus
1.1.1.25 shikimate dehydrogenase
-
 Staphylococcus aureus

Temperature Optimum [°C]

EC Number Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
1.1.1.25 25
-
 NADP+ reduction assay at Staphylococcus aureus

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
1.1.1.25 8
-
 NADP+ reduction assay at Staphylococcus aureus

Cofactor

EC Number Cofactor Comment Organism Structure
1.1.1.25 NADP+
-
 Staphylococcus aureus
1.1.1.25 NADPH
-
 Staphylococcus aureus

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
1.1.1.25 additional information
-
 additional information inhibition kinetics and mechanisms, molecular dynamics simulation, overview Staphylococcus aureus
1.1.1.25 0.0083
-
 [4-(4-methylperhydro-1,4-diazepin-1-yl)phenyl]methanol pH 8.0, 25°C, versus NADP+ Staphylococcus aureus
1.1.1.25 0.0103
-
 [4-(4-methylperhydro-1,4-diazepin-1-yl)phenyl]methanol pH 8.0, 25°C, versus shikimate Staphylococcus aureus
1.1.1.25 0.046
-
 6-amino-1,2,3,4-tetrahydronaphthalen-1-one pH 8.0, 25°C, versus NADP+ Staphylococcus aureus
1.1.1.25 0.075
-
 1,3-benzodioxole-5-carbothioamide pH 8.0, 25°C, versus shikimate Staphylococcus aureus
1.1.1.25 0.083
-
 5-[4-(1H-imidazol-2-ylcarbonyl)phenyl]thiophene-2-carboxylic acid pH 8.0, 25°C, versus shikimate Staphylococcus aureus
1.1.1.25 0.101
-
 6-amino-1,2,3,4-tetrahydronaphthalen-1-one pH 8.0, 25°C, versus shikimate Staphylococcus aureus
1.1.1.25 0.213
-
 5-[4-(1H-imidazol-2-ylcarbonyl)phenyl]thiophene-2-carboxylic acid pH 8.0, 25°C, versus NADP+ Staphylococcus aureus
1.1.1.25 0.246
-
 1,3-benzodioxole-5-carbothioamide pH 8.0, 25°C, versus NADP+ Staphylococcus aureus