Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(2R)-2,4-dihydroxy-3,3-dimethyl-N'-phenylbutanohydrazide | competitive, pantothenic acid analogue with 2,4-dihydroxy-3,3-dimethylbutyramide core of pantothenate, inhibition mechanism | Homo sapiens | |
(2R)-2,4-dihydroxy-3,3-dimethyl-N'-phenylbutanohydrazide | competitive, pantothenic acid analogue with 2,4-dihydroxy-3,3-dimethylbutyramide core of pantothenate, inhibition mechanism | Plasmodium falciparum | |
(2R)-2,4-dihydroxy-3,3-dimethylbutanohydrazide | competitive, pantothenic acid analogue with 2,4-dihydroxy-3,3-dimethylbutyramide core of pantothenate, inhibition mechanism | Plasmodium falciparum | |
(2R)-2,4-dihydroxy-N-(2-hydroxyethyl)-3,3-dimethylbutanamide | competitive, pantothenic acid analogue with 2,4-dihydroxy-3,3-dimethylbutyramide core of pantothenate, inhibition mechanism | Plasmodium falciparum | |
(2R)-N-(2,3-dihydroxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide | competitive, pantothenic acid analogue with 2,4-dihydroxy-3,3-dimethylbutyramide core of pantothenate, inhibition mechanism | Plasmodium falciparum | |
(2R)-N-allyl-2,4-dihydroxy-3,3-dimethylbutanamide | competitive, pantothenic acid analogue with 2,4-dihydroxy-3,3-dimethylbutyramide core of pantothenate, inhibition mechanism | Homo sapiens | |
(2R)-N-allyl-2,4-dihydroxy-3,3-dimethylbutanamide | competitive, pantothenic acid analogue with 2,4-dihydroxy-3,3-dimethylbutyramide core of pantothenate, inhibition mechanism | Plasmodium falciparum | |
2,4-dihydroxy-3,3-dimethyl N-(2-pentylcarbamoyl-ethyl)-butyramide | competitive, pantothenic acid analogue with 2,4-dihydroxy-3,3-dimethylbutyramide core of pantothenate, inhibition mechanism | Plasmodium falciparum | |
2,4-dihydroxy-3,3-dimethyl N-(2-propylcarbamoylethyl)-butyramide | competitive, pantothenic acid analogue with 2,4-dihydroxy-3,3-dimethylbutyramide core of pantothenate, inhibition mechanism | Plasmodium falciparum | |
2,4-dihydroxy-3,3-dimethyl N-[2-(3-ethoxy-propylcarbamoyl)-ethyl]-butyramide | competitive, pantothenic acid analogue with 2,4-dihydroxy-3,3-dimethylbutyramide core of pantothenate, inhibition mechanism | Plasmodium falciparum | |
2,4-dihydroxy-3,3-dimethyl N-[2-(3-methylsulfanylpropylcarbamoyl)-ethyl]-butyramide | competitive, pantothenic acid analogue with 2,4-dihydroxy-3,3-dimethylbutyramide core of pantothenate, inhibition mechanism | Plasmodium falciparum | |
2,4-dihydroxy-N-[2-(3-methoxy-propylcarbamoyl)-ethyl]-3,3-dimethyl-butyramide | competitive, pantothenic acid analogue with 2,4-dihydroxy-3,3-dimethylbutyramide core of pantothenate, inhibition mechanism | Plasmodium falciparum | |
additional information | in vivo antiplasmodial activities of the inhibitor molecules, overview | Plasmodium falciparum | |
pantothenol | competitive inhibition | Plasmodium falciparum |
Metals/Ions | Comment | Organism | Structure |
---|---|---|---|
Mg2+ | - |
Homo sapiens | |
Mg2+ | - |
Plasmodium falciparum |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
ATP + (R)-pantothenate | Homo sapiens | first step in coenzyme A biosynthesis | ADP + (R)-4'-phosphopantothenate | - |
? | |
ATP + (R)-pantothenate | Plasmodium falciparum | first step in coenzyme A biosynthesis | ADP + (R)-4'-phosphopantothenate | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | - |
- |
- |
Plasmodium falciparum | - |
- |
- |
Source Tissue | Comment | Organism | Textmining |
---|---|---|---|
JURKAT cell | - |
Homo sapiens | - |
trophozoite | - |
Plasmodium falciparum | - |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
ATP + (R)-pantothenate | - |
Homo sapiens | ADP + (R)-4'-phosphopantothenate | - |
? | |
ATP + (R)-pantothenate | - |
Plasmodium falciparum | ADP + (R)-4'-phosphopantothenate | - |
? | |
ATP + (R)-pantothenate | first step in coenzyme A biosynthesis | Homo sapiens | ADP + (R)-4'-phosphopantothenate | - |
? | |
ATP + (R)-pantothenate | first step in coenzyme A biosynthesis | Plasmodium falciparum | ADP + (R)-4'-phosphopantothenate | - |
? |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
37 | - |
assay at | Homo sapiens |
37 | - |
assay at | Plasmodium falciparum |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
ATP | - |
Homo sapiens | |
ATP | - |
Plasmodium falciparum |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.0019 | - |
(2R)-2,4-dihydroxy-N-(2-hydroxyethyl)-3,3-dimethylbutanamide | 37°C, versus pantothenate at 1 mM | Plasmodium falciparum | |
0.013 | - |
(2R)-2,4-dihydroxy-3,3-dimethylbutanohydrazide | 37°C, versus pantothenate at 1 mM | Plasmodium falciparum | |
0.076 | - |
2,4-dihydroxy-3,3-dimethyl N-[2-(3-methylsulfanylpropylcarbamoyl)-ethyl]-butyramide | 37°C, versus pantothenate at 1 mM | Plasmodium falciparum | |
0.082 | - |
(2R)-N-allyl-2,4-dihydroxy-3,3-dimethylbutanamide | 37°C, versus pantothenate at 1 mM | Plasmodium falciparum | |
0.109 | - |
2,4-dihydroxy-N-[2-(3-methoxy-propylcarbamoyl)-ethyl]-3,3-dimethyl-butyramide | 37°C, versus pantothenate at 1 mM | Plasmodium falciparum | |
0.111 | - |
2,4-dihydroxy-3,3-dimethyl N-[2-(3-ethoxy-propylcarbamoyl)-ethyl]-butyramide | 37°C, versus pantothenate at 1 mM | Plasmodium falciparum | |
0.112 | - |
2,4-dihydroxy-3,3-dimethyl N-(2-propylcarbamoylethyl)-butyramide | 37°C, versus pantothenate at 1 mM | Plasmodium falciparum | |
0.129 | - |
pantothenol | 37°C, versus pantothenate at 1 mM | Plasmodium falciparum | |
0.138 | - |
(2R)-2,4-dihydroxy-3,3-dimethyl-N'-phenylbutanohydrazide | 37°C, versus pantothenate at 1 mM | Homo sapiens | |
0.162 | - |
2,4-dihydroxy-3,3-dimethyl N-(2-pentylcarbamoyl-ethyl)-butyramide | 37°C, versus pantothenate at 1 mM | Plasmodium falciparum | |
0.2 | - |
(2R)-2,4-dihydroxy-3,3-dimethyl-N'-phenylbutanohydrazide | 37°C, versus pantothenate at 1 mM | Plasmodium falciparum | |
1 | - |
(2R)-N-allyl-2,4-dihydroxy-3,3-dimethylbutanamide | 37°C, versus pantothenate at 1 mM | Homo sapiens | |
4 | - |
(2R)-N-(2,3-dihydroxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide | 37°C, versus pantothenate at 1 mM | Plasmodium falciparum |