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Literature summary for 4.2.99.18 extracted from

  • Guerreiro, P.S.; Estacio, S.G.; Antunes, F.; Fernandes, A.S.; Pinheiro, P.F.; Costa, J.G.; Castro, M.; Miranda, J.P.; Guedes, R.C.; Oliveira, N.G.
    Structure-based virtual screening toward the discovery of novel inhibitors of the DNA repair activity of the human apurinic/apyrimidinic endonuclease 1 (2016), Chem. Biol. Drug Des., 88, 915-925 .
    View publication on PubMed
Search for more literature for 4.2.99.18

Application

Application Comment Organism
additional information enzyme APE1 is a promising target for the development of small-molecule inhibitors to be used in combination with anticancer agents Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
5-(acetylamino)-2-[2-(4-isothiocyanato-3-sulfophenyl)ethenyl] benzenesulfonic acid shows no cytotoxicity in MCF10A cells Homo sapiens
6-amino-4-hydroxy-5-[(4-nitro-2-sulfophenyl)azo]-2-naphtalenesulfonic acid shows no cytotoxicity in MCF10A cells Homo sapiens
6-amino-5-[(4-amino-2-sulfophenyl)azo]-4-hydroxy-2-naphtalenesulfonic acid shows no cytotoxicity in MCF10A cells Homo sapiens
7-nitro-1H-indole-2-carboxylic acid CRT0044876, a direct inhibitor of the DNA repair activity of APE1 Homo sapiens
methoxyamine MX, an indirect inhibitor. MX increases the cytotoxicity of chemotherapeutic drugs such as temozolomide, carmustine, pemetrexed, and 5-iodo-2'-deoxyuridine in preclinical models Homo sapiens
additional information the enzyme is a promising target for the development of small-molecule inhibitors to be used in combination with anticancer agents, structure-based virtual library screening study based on compounds molecular docking analysis, overview. Compounds 5-(acetylamino)-2-[2-(4-isothiocyanato-3-sulfophenyl)ethenyl] benzenesulfonic acid, 6-amino-4-hydroxy-5-[(4-nitro-2-sulfophenyl)azo]-2-naphtalenesulfonic acid, and 6-amino-5-[(4-amino-2-sulfophenyl)azo]-4-hydroxy-2-naphtalenesulfonic acid appear to be important scaffolds for the design of novel APE1 inhibitors. Docking study uses the APE1 enzyme crystal structure, PDB ID 1BIX. All assayed molecules fit well within the APE1-binding site, occupying the pocket defined by the amino acids Asp70, Glu96, Arg177, His309, Asp210, Asn212, Trp280, Phe266, and Leu282. Evaluation of the cytotoxicity of potential APE1 inhibitors in MCF10A cells Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P27695
-
-

Source Tissue

Source Tissue Comment Organism Textmining
commercial preparation human recombinant APE1 Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
additional information usage of a fluorescence-based APE1 endonuclease activity assay and a plasmid DNA nicking assay Homo sapiens ?
-
 ?

Synonyms

Synonyms Comment Organism
APE1
-
 Homo sapiens
apurinic/apyrimidinic endonuclease 1
-
 Homo sapiens

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
37
-
 assay at Homo sapiens

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.5 8 assay at Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00025
-
 pH 8.0, 37°C, recombinant enzyme Homo sapiens 5-(acetylamino)-2-[2-(4-isothiocyanato-3-sulfophenyl)ethenyl] benzenesulfonic acid
0.00776
-
 pH 8.0, 37°C, recombinant enzyme Homo sapiens 6-amino-4-hydroxy-5-[(4-nitro-2-sulfophenyl)azo]-2-naphtalenesulfonic acid
0.00885
-
 pH 8.0, 37°C, recombinant enzyme Homo sapiens 6-amino-5-[(4-amino-2-sulfophenyl)azo]-4-hydroxy-2-naphtalenesulfonic acid