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Literature summary for 1.1.1.267 extracted from

  • Wadood, A.; Ghufran, M.; Hassan, S.; Khan, H.; Azam, S.; Rashid, U.
    In silico identification of promiscuous scaffolds as potential inhibitors of 1-deoxy-D-xylulose 5-phosphate reductoisomerase for treatment of falciparum malaria (2017), Pharm. Biol., 55, 19-32 .
    View publication on PubMedView publication on EuropePMC
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Inhibitors

Inhibitors Comment Organism Structure
(2R)-3-[4-(hydroxymethyl)-4-[[4-(hydroxymethyl)phenyl]methyl]piperidin-1-yl]propane-1,2-diol
-
 Plasmodium falciparum
(2R)-3-[4-[2-[(cyclohexa-2,4-dien-1-yl)oxy]ethyl]-4-(hydroxymethyl)piperidin-1-yl]propane-1,2-diol
-
 Plasmodium falciparum
(2R)-3-[[[1-butyl-2-(cyclobutylmethanesulfonyl)-1H-imidazol-5-yl]methyl](methyl)amino]propane-1,2-diol
-
 Plasmodium falciparum
(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-([[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]amino]methyl)piperidin-2-one
-
 Plasmodium falciparum
(3S)-1-(cyclopropylmethyl)-3-([[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]amino]methyl)-3-hydroxypiperidin-2-one
-
 Plasmodium falciparum
(3S,4R)-3-((2S)-1-(6,7-dimethoxy-4-(pyrrolidin-1-yl)-1,7,8,8a-tetrahydroquinazolin-2-yl)-4-hydroxybutan-2-yl)-4-hydroxytetrahydrothiophene 1,1-dioxide
-
 Plasmodium falciparum
(4-chloro-2-[[1-(2,3-dihydroxypropyl)piperidin-4-yl]oxy]phenyl)(piperidin-1-yl)methanone
-
 Plasmodium falciparum
(5R)-5-[1-[(2R)-2,3-dihydroxypropyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
-
 Plasmodium falciparum
1-[(2S)-2,3-dihydroxypropyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide
-
 Plasmodium falciparum
4-butyl-6-[4-([[(2R)-2,3-dihydroxypropyl](methyl)amino]methyl)phenyl]pyridin-2(1H)-one
-
 Plasmodium falciparum
ethyl 1-[(2R)-2,3-dihydroxypropyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate
-
 Plasmodium falciparum
ethyl 1-[(2R)-2,3-dihydroxypropyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate
-
 Plasmodium falciparum
fosmidomycin the DXR inhibitor shows safety as well as efficacy against Plasmodium falciparum malaria in clinical trials Plasmodium falciparum
methyl N-([(3S)-1-[(2,3-difluorophenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methyl)glycinate
-
 Plasmodium falciparum
additional information computational design of potent inhibitors for deoxyxylulose 5-phosphate reductoisomerase and prediction of pharmacokinetics and pharmacodynamics, active site binding, molecular docking, and complex-based pharmacophore modeling, binding structures, overview Plasmodium falciparum
[2-([1-[(2R)-2,3-dihydroxypropyl]piperidin-4-yl]oxy)phenyl](piperidin-1-yl)methanone
-
 Plasmodium falciparum
[3-[acetyl(hydroxy)amino]-1-(1,4-dihydropyridin-4-yl)propyl]phosphonic acid
-
 Plasmodium falciparum

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
1-deoxy-D-xylulose 5-phosphate + NADPH + H+ Plasmodium falciparum
-
 2-C-methyl-D-erythritol 4-phosphate + NADP+
-
 ?

Organism

Organism UniProt Comment Textmining
Plasmodium falciparum Q8IKG4
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1-deoxy-D-xylulose 5-phosphate + NADPH + H+
-
 Plasmodium falciparum 2-C-methyl-D-erythritol 4-phosphate + NADP+
-
 ?

Synonyms

Synonyms Comment Organism
1-deoxy-D-xylulose 5-phosphate reductoisomerase
-
 Plasmodium falciparum
DXR
-
 Plasmodium falciparum
PfDXR
-
 Plasmodium falciparum

Cofactor

Cofactor Comment Organism Structure
NADP+
-
 Plasmodium falciparum
NADPH
-
 Plasmodium falciparum