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Literature summary extracted from

  • Santos Junior, M.; de Assis, S.; Goes-Neto, A.; Duarte, A.; Alves, R.; Comar, M.; Taranto, A.
    Structure-based drug design studies of UDP-N-acetylglucosamine pyrophosphosrylase, a key enzyme for the control of witches broom disease (2013), Chem. Cent. J., 7, 48.
    View publication on PubMedView publication on EuropePMC

Application

EC Number Application Comment Organism
2.7.7.23 drug development the enzyme is a target for drugs treating the witches broom disease caused by Moniliophthora perniciosa in Theobroma cacao Moniliophthora perniciosa

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
2.7.7.23 structure-based drug design studies. The molecular recognition of the enzyme with the substrates occurs mainly by hydrogen bonds between ligands and Arg116, Arg383, Gly381, and Lys408 amino acids, and few hydrophobic interactions with Tyr382 and Lys123 residues Moniliophthora perniciosa

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.7.7.23 2,3-dihydroxy-5-nitrophenyl 2-acetamido-2-deoxy-alpha-D-xylo-hexopyranoside forms with UNAcP hydrogen bonds, Pi-cation and hydrophobic interactions Moniliophthora perniciosa
2.7.7.23 2-hydroxy-5-nitrophenyl 2-acetamido-2-deoxy-alpha-D-xylo-hexopyranoside
-
 Moniliophthora perniciosa
2.7.7.23 2-hydroxyphenyl 2-acetamido-2-deoxy-alpha-D-xylo-hexopyranoside
-
 Moniliophthora perniciosa
2.7.7.23 3,4-dihydroxyphenyl 2-acetamido-2-deoxy-alpha-D-xylo-hexopyranoside
-
 Moniliophthora perniciosa
2.7.7.23 3-hydroxyphenyl 2-acetamido-2-deoxy-alpha-D-xylo-hexopyranoside
-
 Moniliophthora perniciosa
2.7.7.23 3-nitrophenyl 2-acetamido-2-deoxy-alpha-D-xylo-hexopyranoside
-
 Moniliophthora perniciosa
2.7.7.23 3-[(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-N-[2-[(3-hydroxypropyl)carbamoyl]phenyl]benzamide
-
 Moniliophthora perniciosa
2.7.7.23 3-[[2-acetamido-2-deoxy-alpha-D-xylo-hexopyranosyl]oxy]-2-hydroxybenzoic acid
-
 Moniliophthora perniciosa
2.7.7.23 3-[[2-acetamido-2-deoxy-alpha-L-xylo-hexopyranosyl]oxy]benzoic acid
-
 Moniliophthora perniciosa
2.7.7.23 5'-(3-[[2-acetamido-2-deoxy-alpha-L-xylo-hexopyranosyl]oxy]-2-hydroxyanilino)-5'-deoxyuridine
-
 Moniliophthora perniciosa
2.7.7.23 additional information N-acetylglucosamine derivative inhibitors design and synthesis, inhibitor docking studies and simulation, RMS and binding energies, overview Moniliophthora perniciosa
2.7.7.23 N-[(1R,2R,4R,6S)-6-(2,3-dihydroxy-5-nitrophenoxy)-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide inhibitor identified by strucutre-based drug design, best binding energy of ?95.2 kcal/mol among the compounds analyzed Moniliophthora perniciosa
2.7.7.23 N-[(2R,3R,4R,6R)-2-(2,3-dihydroxy-5-nitrophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide most active inhibitor among compounds tested, forms a hydrogen bonding network with residues Arg116, Gly381, Arg383 and Lys408, with the distance ranging from 2.9 A to and 3.14 A. The hydrophobic interaction is observed with the aromatic ring of Tyr382 with a distance of 3.85 A. The aromatic ring of the inhibitor also interacts with the Lys123 through a pi-cation interaction, with a distance of 3.99 A Moniliophthora perniciosa

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.7.7.23 UTP + N-acetyl-alpha-D-glucosamine 1-phosphate Moniliophthora perniciosa
-
 diphosphate + UDP-N-acetyl-alpha-D-glucosamine
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
2.7.7.23 Moniliophthora perniciosa
-
-
-
2.7.7.23 Moniliophthora perniciosa E2LRY8
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.7.7.23 additional information the molecular recognition of the enzyme with the substrates occurs mainly by hydrogen bonds between ligands and Arg116, Arg383, Gly381, and Lys408 amino acids, and few hydrophobic interactions with Tyr382 and Lys123 residues Moniliophthora perniciosa ?
-
 ?
2.7.7.23 UTP + N-acetyl-alpha-D-glucosamine 1-phosphate
-
 Moniliophthora perniciosa diphosphate + UDP-N-acetyl-alpha-D-glucosamine
-
 ?

Synonyms

EC Number Synonyms Comment Organism
2.7.7.23 UDP-N-acetylglucosamine pyrophosphorylase
-
 Moniliophthora perniciosa
2.7.7.23 UNAcP
-
 Moniliophthora perniciosa

General Information

EC Number General Information Comment Organism
2.7.7.23 malfunction the inhibition of this enzyme results in the fungal cell death Moniliophthora perniciosa
2.7.7.23 physiological function UDP-N-acetylglucosamine pyrophosphorylase (UNAcP) is a key enzyme to construct the fungal cell wall Moniliophthora perniciosa