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 | 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 | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P27695 | - |
- |
Source Tissue | Comment | Organism | Textmining |
---|---|---|---|
commercial preparation | human recombinant APE1 | Homo sapiens | - |
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 | Comment | Organism |
---|---|---|
APE1 | - |
Homo sapiens |
apurinic/apyrimidinic endonuclease 1 | - |
Homo sapiens |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
37 | - |
assay at | Homo sapiens |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
7.5 | 8 | assay at | Homo sapiens |
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 |