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Literature summary extracted from

  • Czeczot, A.M.; Roth, C.D.; Ducati, R.G.; Pissinate, K.; Rambo, R.S.; Timmers, L.F.S.M.; Abbadi, B.L.; Macchi, F.S.; Pestana, V.Z.; Basso, L.A.; Machado, P.; Bizarro, C.V.
    8-Mercaptoguanine-based inhibitors of Mycobacterium tuberculosis dihydroneopterin aldolase synthesis, invitro inhibition and docking studies (2021), J. Enzyme Inhib. Med. Chem., 36, 847-855.
    View publication on PubMed

Cloned(Commentary)

EC Number Cloned (Comment) Organism
4.1.2.25
-
 Mycobacterium tuberculosis

Inhibitors

EC Number Inhibitors Comment Organism Structure
4.1.2.25 2-amino-8-(benzylsulfanyl)-1,9-dihydro-6H-purin-6-one non-competitive inhibitor Mycobacterium tuberculosis
4.1.2.25 2-amino-8-[(2-oxo-2-phenylethyl)sulfanyl]-1,9-dihydro-6H-purin-6-one
-
 Mycobacterium tuberculosis
4.1.2.25 2-amino-8-[[(2-chlorophenyl)methyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
-
 Mycobacterium tuberculosis
4.1.2.25 2-amino-8-[[(2-fluorophenyl)methyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
-
 Mycobacterium tuberculosis
4.1.2.25 2-amino-8-[[(3,4-dichlorophenyl)methyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
-
 Mycobacterium tuberculosis
4.1.2.25 2-amino-8-[[(4-bromophenyl)methyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
-
 Mycobacterium tuberculosis
4.1.2.25 2-amino-8-[[(4-chlorophenyl)methyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
-
 Mycobacterium tuberculosis
4.1.2.25 2-amino-8-[[(4-fluorophenyl)methyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
-
 Mycobacterium tuberculosis
4.1.2.25 2-amino-8-[[(naphthalen-2-yl)methyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
-
 Mycobacterium tuberculosis
4.1.2.25 2-amino-8-[[2-(2-methoxyphenyl)-2-oxoethyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
-
 Mycobacterium tuberculosis
4.1.2.25 2-amino-8-[[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl]-1,9-dihydro-6H-purin-6-one non-competitive inhibitor Mycobacterium tuberculosis
4.1.2.25 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-bromophenyl)acetamide competitive inhibitor Mycobacterium tuberculosis
4.1.2.25 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
-
 Mycobacterium tuberculosis
4.1.2.25 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
-
 Mycobacterium tuberculosis
4.1.2.25 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-heptylphenyl)acetamide non-competitive inhibitor Mycobacterium tuberculosis
4.1.2.25 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-propylphenyl)acetamide
-
 Mycobacterium tuberculosis
4.1.2.25 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(naphthalen-2-yl)acetamide
-
 Mycobacterium tuberculosis
4.1.2.25 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-benzylacetamide
-
 Mycobacterium tuberculosis
4.1.2.25 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide
-
 Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
4.1.2.25 7,8-dihydroneopterin Mycobacterium tuberculosis
-
 6-(hydroxymethyl)-7,8-dihydropterin + glycolaldehyde
-
 ?
4.1.2.25 7,8-dihydroneopterin Mycobacterium tuberculosis H37Rv
-
 6-(hydroxymethyl)-7,8-dihydropterin + glycolaldehyde
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
4.1.2.25 Mycobacterium tuberculosis P9WNC5
-
-
4.1.2.25 Mycobacterium tuberculosis H37Rv P9WNC5
-
-

Purification (Commentary)

EC Number Purification (Comment) Organism
4.1.2.25
-
 Mycobacterium tuberculosis

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
4.1.2.25 7,8-dihydroneopterin
-
 Mycobacterium tuberculosis 6-(hydroxymethyl)-7,8-dihydropterin + glycolaldehyde
-
 ?
4.1.2.25 7,8-dihydroneopterin
-
 Mycobacterium tuberculosis H37Rv 6-(hydroxymethyl)-7,8-dihydropterin + glycolaldehyde
-
 ?

Subunits

EC Number Subunits Comment Organism
4.1.2.25 octamer
-
 Mycobacterium tuberculosis

Synonyms

EC Number Synonyms Comment Organism
4.1.2.25 DHNA
-
 Mycobacterium tuberculosis
4.1.2.25 FolB protein
-
 Mycobacterium tuberculosis

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
4.1.2.25 0.0003
-
 non-competitive inhibitor, 25°C, pH 8.0 Mycobacterium tuberculosis 2-amino-8-(benzylsulfanyl)-1,9-dihydro-6H-purin-6-one
4.1.2.25 0.0003
-
 non-competitive inhibitor, 25°C, pH 8.0 Mycobacterium tuberculosis 2-amino-8-[[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
4.1.2.25 0.0004
-
 non-competitive inhibitor, 25°C, pH 8.0 Mycobacterium tuberculosis 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-heptylphenyl)acetamide
4.1.2.25 0.0005
-
 competitive inhibitor, 25°C, pH 8.0 Mycobacterium tuberculosis 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-bromophenyl)acetamide
4.1.2.25 0.0007
-
 25°C, pH 8.0 Mycobacterium tuberculosis 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(naphthalen-2-yl)acetamide
4.1.2.25 0.0008
-
 25°C, pH 8.0 Mycobacterium tuberculosis 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
4.1.2.25 0.0009
-
 25°C, pH 8.0 Mycobacterium tuberculosis 2-amino-8-[(2-oxo-2-phenylethyl)sulfanyl]-1,9-dihydro-6H-purin-6-one
4.1.2.25 0.0009
-
 25°C, pH 8.0 Mycobacterium tuberculosis 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-propylphenyl)acetamide
4.1.2.25 0.0013
-
 25°C, pH 8.0 Mycobacterium tuberculosis 2-amino-8-[[(naphthalen-2-yl)methyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
4.1.2.25 0.0013
-
 25°C, pH 8.0 Mycobacterium tuberculosis 2-amino-8-[[2-(2-methoxyphenyl)-2-oxoethyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
4.1.2.25 0.002
-
 25°C, pH 8.0 Mycobacterium tuberculosis 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
4.1.2.25 0.0022
-
 25°C, pH 8.0 Mycobacterium tuberculosis 2-amino-8-[[(4-chlorophenyl)methyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
4.1.2.25 0.0022
-
 25°C, pH 8.0 Mycobacterium tuberculosis 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide
4.1.2.25 0.003
-
 25°C, pH 8.0 Mycobacterium tuberculosis 2-amino-8-[[(4-bromophenyl)methyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
4.1.2.25 0.0042
-
 25°C, pH 8.0 Mycobacterium tuberculosis 2-amino-8-[[(2-chlorophenyl)methyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
4.1.2.25 0.0055
-
 25°C, pH 8.0 Mycobacterium tuberculosis 2-amino-8-[[(3,4-dichlorophenyl)methyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
4.1.2.25 0.0071
-
 25°C, pH 8.0 Mycobacterium tuberculosis 2-amino-8-(benzylsulfanyl)-1,9-dihydro-6H-purin-6-one
4.1.2.25 0.008
-
 25°C, pH 8.0 Mycobacterium tuberculosis 2-amino-8-[[(2-fluorophenyl)methyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
4.1.2.25 0.008
-
 25°C, pH 8.0 Mycobacterium tuberculosis 2-amino-8-[[(4-fluorophenyl)methyl]sulfanyl]-1,9-dihydro-6H-purin-6-one
4.1.2.25 0.0123
-
 25°C, pH 8.0 Mycobacterium tuberculosis 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-benzylacetamide

General Information

EC Number General Information Comment Organism
4.1.2.25 drug target the FolB protein is essential for survival of Mycobacterium tuberculosis and represents an important molecular target for drug development Mycobacterium tuberculosis
4.1.2.25 physiological function the FolB protein is essential for survival of Mycobacterium tuberculosis and represents an important molecular target for drug development Mycobacterium tuberculosis