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Literature summary for 3.4.11.21 extracted from
- In silico study of M18 aspartyl amino peptidase (M18AAP) of Plasmodium vivax as an antimalarial drug target (2019), Bioorg. Med. Chem., 27, 2553-2571 .
Application
| Application | Comment | Organism |
|---|---|---|
| drug development | the M18 aspartyl aminopeptidase is a valid target to develop antimalarial drugs against the drug resistant strains of malaria parasite | Plasmodium vivax |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| (2S)-3-oxo-3-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a] | i.e. ZINC54727336 | Plasmodium vivax |  |
| 1,3-dibenzotriazol-1-yl-3-phenyl-propan-1-ol | i.e. ZINC05489290 | Plasmodium vivax | |
| 1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine | - |
Plasmodium vivax | |
| 1-[2-(acridin-9-ylamino)ethyl]-2-methyl-3-phenylmethoxypyridin-4-one | - |
Plasmodium vivax | |
| 1-[2-(acridin-9-ylamino)ethyl]-3-phenylmethoxypyridin-4-one | - |
Plasmodium vivax | |
| 2-(1,3-benzothiazol-2-ylthio)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide | i.e. ZINC01158737 | Plasmodium vivax | |
| 2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl | i.e. ZINC47767447 | Plasmodium vivax | |
| 2-benzothiazol-2-ylsulfanyl-N-[5-(mtolyl)-1,3,4-thiadiazol-2-yl]-acetamide | i.e. ZINC04174427 | Plasmodium vivax | |
| 3-(5-(H)-[1,2,4]triazino[5,6-b]indol-3-yldisulfanyl)-5-(H)-[1,2,4]triazino[5,6-b]indole | i.e. ZINC06536284 | Plasmodium vivax | |
| 3-[2-(quinolin-4-ylamino)ethyl]benzene-1,2-diol | - |
Plasmodium vivax | |
| 4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol | - |
Plasmodium vivax | |
| 4-(1-quinolin-4-ylpiperidin-4-yl)benzene-1,2-diol | - |
Plasmodium vivax | |
| 4-(1-quinolin-4-ylpyrrolidin-3-yl)benzene-1,2-diol | - |
Plasmodium vivax | |
| 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol | - |
Plasmodium vivax | |
| 4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzene-1,2-diol | - |
Plasmodium vivax | |
| 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzene-1,2-diol | - |
Plasmodium vivax | |
| 4-[2-(acridin-9-ylamino)ethyl]phenol | - |
Plasmodium vivax | |
| 4-[2-(quinolin-4-ylamino)ethyl]benzene-1,2-diol | - |
Plasmodium vivax | |
| 4-[2-[(1-benzylpiperidin-4-yl)amino]ethyl]benzene-1,2-diol | - |
Plasmodium vivax | |
| 4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzene-1,2-diol | - |
Plasmodium vivax | |
| 4-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzene-1,2-diol | - |
Plasmodium vivax | |
| 4-[2-[methyl(quinolin-4-yl)amino]ethyl]benzene-1,2-diol | - |
Plasmodium vivax | |
| 4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline | - |
Plasmodium vivax | |
| 4-[3-(acridin-9-ylamino)propyl]benzene-1,2-diol | - |
Plasmodium vivax | |
| 5-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | i.e. ZINC78349763 | Plasmodium vivax | |
| 5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | i.e. ZINC72883556 | Plasmodium vivax | |
| 5-phenyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | i.e. ZINC72883554 | Plasmodium vivax | |
| 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinolin-4-amine | - |
Plasmodium vivax | |
| 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine | - |
Plasmodium vivax | |
| additional information | inhibitor detection using 3-dimensional quantitative structure activity relationship (3D QSAR) modeling, virtual screening and molecular docking studies and interaction analysis, overview. Model evaluation and validation and molecular dynamics analysis | Plasmodium vivax | |
| N'-acridin-9-ylethane-1,2-diamine | - |
Plasmodium vivax | |
| N-[(3,4-dimethoxyphenyl)methyl]acridin-9-amine | - |
Plasmodium vivax | |
| N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine | - |
Plasmodium vivax | |
| N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]acridin-9-amine | - |
Plasmodium vivax | |
| N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine | - |
Plasmodium vivax | |
| N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethoxyquinolin-4-amine | - |
Plasmodium vivax | |
| N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacridin-9-amine | - |
Plasmodium vivax | |
| N-[2-(3,4-dimethoxyphenyl)ethyl]acridin-9-amine | - |
Plasmodium vivax | |
| N-[2-(3,4-dimethoxyphenyl)ethyl]isoquinolin-4-amine | - |
Plasmodium vivax | |
| N-[2-(3-methoxyphenyl)ethyl]acridin-9-amine | - |
Plasmodium vivax | |
| N-[2-(4-methoxyphenyl)ethyl]acridin-9-amine | - |
Plasmodium vivax | |
| N-[3-(3,4-dimethoxyphenyl)propyl]acridin-9-amine | - |
Plasmodium vivax | |
| N-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-methyl-[1,2,4]triazolo | i.e. ZINC32853471 | Plasmodium vivax | |
Localization
| Localization | Comment | Organism | GeneOntology No. | Textmining |
|---|---|---|---|---|
| cytosol | the enzyme is located within parasite cytosol and exported to parasitophorous vacuole | Plasmodium vivax | 5829 | - |
| vacuole | the enzyme is located within parasite cytosol and exported to parasitophorous vacuole | Plasmodium vivax | 5773 | - |
Metals/Ions
| Metals/Ions | Comment | Organism | Structure |
|---|---|---|---|
| Zn2+ | the catalytic active site harbors two zinc ions bounded by His/Asp, Asp, Glu, Asp/Glu and His | Plasmodium vivax | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Plasmodium vivax | A0A1G4HB34 | a single gene copy present in Plasmodium vivax | - |
Source Tissue
| Source Tissue | Comment | Organism | Textmining |
|---|---|---|---|
| merozoite | - |
Plasmodium vivax | - |
| schizont | - |
Plasmodium vivax | - |
| trophozoite | - |
Plasmodium vivax | - |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| additional information | M18AAP is an exopeptidase that digests the N-terminal aspartic and glutamic acid which cannot be degraded by any other aminopeptidase | Plasmodium vivax | ? | - |
? | |
Subunits
| Subunits | Comment | Organism |
|---|---|---|
| More | enzyme tertiary structure prediction and validation, primary sequence analysis | Plasmodium vivax |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| M18 aspartyl aminopeptidase | - |
Plasmodium vivax |
| M18AAP | - |
Plasmodium vivax |
| PvM18AAP | - |
Plasmodium vivax |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.000127 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzene-1,2-diol | |
| 0.000145 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-amine | |
| 0.000154 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 4-[2-[(1-benzylpiperidin-4-yl)amino]ethyl]benzene-1,2-diol | |
| 0.0002085 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 4-[2-[methyl(quinolin-4-yl)amino]ethyl]benzene-1,2-diol | |
| 0.000213 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 1-[2-(acridin-9-ylamino)ethyl]-3-phenylmethoxypyridin-4-one | |
| 0.000213 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 4-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzene-1,2-diol | |
| 0.000222 | - |
pH and temperature not specified in the publication | Plasmodium vivax | N-[2-(3,4-dimethoxyphenyl)ethyl]isoquinolin-4-amine | |
| 0.000222 | - |
pH and temperature not specified in the publication | Plasmodium vivax | N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacridin-9-amine | |
| 0.000238 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol | |
| 0.00025 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 1-[2-(acridin-9-ylamino)ethyl]-2-methyl-3-phenylmethoxypyridin-4-one | |
| 0.000256 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 4-[2-(quinolin-4-ylamino)ethyl]benzene-1,2-diol | |
| 0.00027 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 4-[3-(acridin-9-ylamino)propyl]benzene-1,2-diol | |
| 0.000277 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzene-1,2-diol | |
| 0.000371 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 3-[2-(quinolin-4-ylamino)ethyl]benzene-1,2-diol | |
| 0.000407 | - |
pH and temperature not specified in the publication | Plasmodium vivax | N-[2-(3,4-dimethoxyphenyl)ethyl]acridin-9-amine | |
| 0.000455 | - |
pH and temperature not specified in the publication | Plasmodium vivax | N-[3-(3,4-dimethoxyphenyl)propyl]acridin-9-amine | |
| 0.0005 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 4-[3-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]quinoline | |
| 0.000593 | - |
pH and temperature not specified in the publication | Plasmodium vivax | N-[(3,4-dimethoxyphenyl)methyl]acridin-9-amine | |
| 0.000715 | - |
pH and temperature not specified in the publication | Plasmodium vivax | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethoxyquinolin-4-amine | |
| 0.000771 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 4-(1-quinolin-4-ylpiperidin-4-yl)benzene-1,2-diol | |
| 0.001 | - |
pH and temperature not specified in the publication | Plasmodium vivax | N-[2-(4-methoxyphenyl)ethyl]acridin-9-amine | |
| 0.001429 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 4-[2-(acridin-9-ylamino)ethyl]phenol | |
| 0.001514 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 7-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]quinolin-4-amine | |
| 0.001614 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzene-1,2-diol | |
| 0.001663 | - |
pH and temperature not specified in the publication | Plasmodium vivax | N-[2-(3-methoxyphenyl)ethyl]acridin-9-amine | |
| 0.002 | - |
pH and temperature not specified in the publication | Plasmodium vivax | N'-acridin-9-ylethane-1,2-diamine | |
| 0.002223 | - |
pH and temperature not specified in the publication | Plasmodium vivax | N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine | |
| 0.003327 | - |
pH and temperature not specified in the publication | Plasmodium vivax | N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]acridin-9-amine | |
| 0.00526 | - |
pH and temperature not specified in the publication | Plasmodium vivax | 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol | |
General Information
| General Information | Comment | Organism |
|---|---|---|
| evolution | the enzyme belongs to the M18 family of proteases | Plasmodium vivax |
| physiological function | the enzyme functions at the terminal stage of hemoglobin degradation of host and completes the hydrolysis process. M18AAP is an exopeptidase that digests the N-terminal aspartic and glutamic acid which cannot be degraded by any other aminopeptidase | Plasmodium vivax |
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