Literature summary for 3.6.1.23 extracted from

McCarthy, O.; Musso-Buendia, A.; Kaiser, M.; Brun, R.; Ruiz-Perez, L.M.; Johansson, N.G.; Pacanowska, D.G.; Gilbert, I.H.
Design, synthesis and evaluation of novel uracil acetamide derivatives as potential inhibitors of Plasmodium falciparum dUTP nucleotidohydrolase (2009), Eur. J. Med. Chem., 44, 678-688.

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Application

Application	Comment	Organism
drug development	the enzyme is a target for anti-malarial drugs	Plasmodium falciparum

Inhibitors

Inhibitors	Comment	Organism	Structure
1-[N-(2-triphenylmethylaminoethyl)-acetamide]uracil	-	Plasmodium falciparum
1-[N-(3-triphenylmethylaminopropyl)-acetamide]uracil	-	Plasmodium falciparum
1-[N-(4-triphenylmethylaminobutyl)-acetamide]uracil	-	Plasmodium falciparum
1-[N-(triphenylmethyl) diaminodi(n-propyl) acetamide]uracil	-	Plasmodium falciparum
1-[N-(triphenylmethylaminoethyl)-N-(aminoethyl) acetamide]uracil	-	Plasmodium falciparum
1-[N-hydroxyethyl-N-(triphenylmethylamino) ethyl-acetamide]uracil	-	Plasmodium falciparum
additional information	design and synthesis of tert-butyl diphenyl silyl uracil acetamides inhibitors, molecular modelling, overview	Plasmodium falciparum
N-[3-(tert-butyl diphenyl silanyloxy)-propyl]-2-uracil acetamide	-	Plasmodium falciparum
N-[4-(tert-butyl diphenyl silanyloxy)-butyl]-2-uracil acetamide	-	Plasmodium falciparum

Metals/Ions

Metals/Ions	Comment	Organism	Structure
Mg2+	dependent on	Plasmodium falciparum

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
dUTP + H2O	Plasmodium falciparum	the enzyme has two major roles in maintaining the correct free nucleotide balance in the cell. It provides dUMP, a major cellular source for dTMP which is in turn needed for dTTP formation. It also maintains the concentration of dUTP lower than that of dTTP thereby minimizing mistaken incorporation of dUTP into DNA	dUMP + diphosphate	-	?

Organism

Organism	UniProt	Comment	Textmining
Plasmodium falciparum	-	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
dUTP + H2O	-	Plasmodium falciparum	dUMP + diphosphate	-	?
dUTP + H2O	the enzyme has two major roles in maintaining the correct free nucleotide balance in the cell. It provides dUMP, a major cellular source for dTMP which is in turn needed for dTTP formation. It also maintains the concentration of dUTP lower than that of dTTP thereby minimizing mistaken incorporation of dUTP into DNA	Plasmodium falciparum	dUMP + diphosphate	-	?

Subunits

Subunits	Comment	Organism
trimer	-	Plasmodium falciparum

Synonyms

Synonyms	Comment	Organism
dUTP nucleotidohydrolase	-	Plasmodium falciparum
dUTP pyrophosphatase	-	Plasmodium falciparum
dUTPase	-	Plasmodium falciparum

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.0231	-	1-[N-(3-triphenylmethylaminopropyl)-acetamide]uracil	-	Plasmodium falciparum
0.0373	-	1-[N-(2-triphenylmethylaminoethyl)-acetamide]uracil	-	Plasmodium falciparum
1	-	N-[3-(tert-butyl diphenyl silanyloxy)-propyl]-2-uracil acetamide	above	Plasmodium falciparum
1	-	N-[4-(tert-butyl diphenyl silanyloxy)-butyl]-2-uracil acetamide	above	Plasmodium falciparum
1	-	1-[N-(4-triphenylmethylaminobutyl)-acetamide]uracil	above	Plasmodium falciparum
1	-	1-[N-(triphenylmethylaminoethyl)-N-(aminoethyl) acetamide]uracil	above	Plasmodium falciparum
1	-	1-[N-(triphenylmethyl) diaminodi(n-propyl) acetamide]uracil	above	Plasmodium falciparum
1	-	1-[N-hydroxyethyl-N-(triphenylmethylamino) ethyl-acetamide]uracil	above	Plasmodium falciparum

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0025	-	-	Plasmodium falciparum	1-[N-(3-triphenylmethylaminopropyl)-acetamide]uracil
0.0029	-	above	Plasmodium falciparum	1-[N-(4-triphenylmethylaminobutyl)-acetamide]uracil
0.0037	-	above	Plasmodium falciparum	N-[4-(tert-butyl diphenyl silanyloxy)-butyl]-2-uracil acetamide
0.0039	-	above	Plasmodium falciparum	1-[N-(triphenylmethyl) diaminodi(n-propyl) acetamide]uracil
0.0042	-	-	Plasmodium falciparum	1-[N-(2-triphenylmethylaminoethyl)-acetamide]uracil
0.0045	-	above	Plasmodium falciparum	1-[N-(triphenylmethylaminoethyl)-N-(aminoethyl) acetamide]uracil
0.0046	-	above	Plasmodium falciparum	N-[3-(tert-butyl diphenyl silanyloxy)-propyl]-2-uracil acetamide
0.083	-	above	Plasmodium falciparum	1-[N-hydroxyethyl-N-(triphenylmethylamino) ethyl-acetamide]uracil

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Release 2023.1 (January 2023)