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Literature summary for 1.3.1.9 extracted from

  • Frecer, V.; Megnassan, E.; Miertus, S.
    Design and in silico screening of combinatorial library of antimalarial analogs of triclosan inhibiting Plasmodium falciparum enoyl-acyl carrier protein reductase (2009), Eur. J. Med. Chem., 44, 3009-3019.
    View publication on PubMed

Application

Application Comment Organism
medicine enoyl-acyl carrier protein reductase from Plasmodium falciparum is an important target for anti-malarial agents Plasmodium falciparum

Inhibitors

Inhibitors Comment Organism Structure
2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol
-
Plasmodium falciparum
2-(4-[[(2,3-dihydro-1-benzofuran-6-ylmethyl)amino]methyl]-2-hydroxyphenoxy)-5-methylbenzonitrile predicted inhibitor, based on in-silico screening Plasmodium falciparum
2-[2-(dimethylamino)-4-sulfanylphenoxy]-5-[[(2-phenylethyl)amino]methyl]phenol predicted inhibitor, based on in-silico screening Plasmodium falciparum
4-[4-[(benzylamino)methyl]-2-hydroxyphenoxy]-3-chlorobenzonitrile predicted inhibitor, based on in-silico screening Plasmodium falciparum
5-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-[2-(dimethylamino)-4-ethylphenoxy]phenol predicted inhibitor, based on in-silico screening Plasmodium falciparum
5-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-[2-ethyl-4-(sulfanylmethyl)phenoxy]phenol predicted inhibitor, based on in-silico screening Plasmodium falciparum
5-cyclohexyl-2-[2-(methylamino)-4-propylphenoxy]phenol predicted inhibitor, based on in-silico screening Plasmodium falciparum
5-[(benzylamino)methyl]-2-[2-(dimethylamino)-4-ethylphenoxy]phenol predicted inhibitor, based on in-silico screening Plasmodium falciparum
5-[[(2,3-dihydro-1-benzofuran-6-ylmethyl)amino]methyl]-2-[2-methyl-4-(methylamino)phenoxy]phenol predicted inhibitor, based on in-silico screening Plasmodium falciparum
triclosan
-
Plasmodium falciparum
[4-[4-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-hydroxyphenoxy]-3-(methylamino)phenyl]methanaminium predicted inhibitor, based on in-silico screening Plasmodium falciparum

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
trans-2-enoyl-acyl-ACP + NADH + H+ Plasmodium falciparum
-
acyl-ACP + NAD+
-
?

Organism

Organism UniProt Comment Textmining
Plasmodium falciparum
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
trans-2-enoyl-acyl-ACP + NADH + H+
-
Plasmodium falciparum acyl-ACP + NAD+
-
?

Synonyms

Synonyms Comment Organism
enoyl-acyl carrier protein reductase
-
Plasmodium falciparum
pfENR
-
Plasmodium falciparum

Cofactor

Cofactor Comment Organism Structure
NADH
-
Plasmodium falciparum

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.00005
-
triclosan
-
Plasmodium falciparum

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000013
-
predicted IC50 Plasmodium falciparum 5-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
0.000014
-
predicted IC50 Plasmodium falciparum 5-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-[2-ethyl-4-(sulfanylmethyl)phenoxy]phenol
0.000022
-
predicted IC50 Plasmodium falciparum 5-cyclohexyl-2-[2-(methylamino)-4-propylphenoxy]phenol
0.00003
-
predicted IC50 Plasmodium falciparum 5-[[(2,3-dihydro-1-benzofuran-6-ylmethyl)amino]methyl]-2-[2-methyl-4-(methylamino)phenoxy]phenol
0.000037
-
predicted IC50 Plasmodium falciparum 2-[2-(dimethylamino)-4-sulfanylphenoxy]-5-[[(2-phenylethyl)amino]methyl]phenol
0.00004
-
predicted IC50 Plasmodium falciparum [4-[4-([[2-(4-chlorophenyl)ethyl]amino]methyl)-2-hydroxyphenoxy]-3-(methylamino)phenyl]methanaminium
0.000042
-
predicted IC50 Plasmodium falciparum 5-[(benzylamino)methyl]-2-[2-(dimethylamino)-4-ethylphenoxy]phenol
0.00005
-
predicted IC50 Plasmodium falciparum 4-[4-[(benzylamino)methyl]-2-hydroxyphenoxy]-3-chlorobenzonitrile
0.000055
-
predicted IC50 Plasmodium falciparum 2-(4-[[(2,3-dihydro-1-benzofuran-6-ylmethyl)amino]methyl]-2-hydroxyphenoxy)-5-methylbenzonitrile
0.000073
-
-
Plasmodium falciparum triclosan
0.000076
-
-
Plasmodium falciparum 2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol