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Literature summary for 6.5.1.2 extracted from

  • Shrivastava, N.; Nag, J.K.; Pandey, J.; Tripathi, R.P.; Shah, P.; Siddiqi, M.I.; Misra-Bhattacharya, S.
    Homology modeling of NAD+-dependent DNA ligase of the Wolbachia endosymbiont of Brugia malayi and its drug target potential using dispiro-cycloalkanones (2015), Antimicrob. Agents Chemother., 59, 3736-3747 .
    View publication on PubMedView publication on EuropePMC

Cloned(Commentary)

Cloned (Comment) Organism
expressed in Escherichia coli Rosetta cells Wolbachia sp. subsp. Brugia malayi

Inhibitors

Inhibitors Comment Organism Structure
1,6-bis(3,4-dimethoxyphenyl)dispiro[2.1.2(5).2(3)]nonan-4-one
-
Wolbachia sp. subsp. Brugia malayi
1,6-bis(3,4-dimethoxyphenyl)dispiro[2.1.2(5).3(3)]decan-4-one
-
Wolbachia sp. subsp. Brugia malayi
1,6-bis(4-bromophenyl)dispiro[2.1.2(5).2(3)]nonan-4-one
-
Wolbachia sp. subsp. Brugia malayi
1,6-bis(4-fluorophenyl)dispiro[2.1.2(5).2(3)]nonan-4-one
-
Wolbachia sp. subsp. Brugia malayi
1,6-bis(4-methoxyphenyl)dispiro[2.1.2(5).2(3)]nonan-4-one
-
Wolbachia sp. subsp. Brugia malayi
1,6-bis(4-methoxyphenyl)dispiro[2.1.2(5).3(3)]decan-4-one
-
Wolbachia sp. subsp. Brugia malayi
2,7-bis[(3,4,5-trimethoxyphenyl)methyl]cycloheptan-1-one
-
Wolbachia sp. subsp. Brugia malayi

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
NAD+ + (deoxyribonucleotide)n-3'-hydroxyl + 5'-phospho-(deoxyribonucleotide)m Wolbachia sp. subsp. Brugia malayi
-
(deoxyribonucleotide)n+m + AMP + beta-nicotinamide D-nucleotide
-
?
NAD+ + (deoxyribonucleotide)n-3'-hydroxyl + 5'-phospho-(deoxyribonucleotide)m Wolbachia sp. subsp. Brugia malayi TRS
-
(deoxyribonucleotide)n+m + AMP + beta-nicotinamide D-nucleotide
-
?

Organism

Organism UniProt Comment Textmining
Wolbachia sp. subsp. Brugia malayi Q5GS88
-
-
Wolbachia sp. subsp. Brugia malayi TRS Q5GS88
-
-

Purification (Commentary)

Purification (Comment) Organism
Ni-NTA agarose column chromatography Wolbachia sp. subsp. Brugia malayi

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
NAD+ + (deoxyribonucleotide)n-3'-hydroxyl + 5'-phospho-(deoxyribonucleotide)m
-
Wolbachia sp. subsp. Brugia malayi (deoxyribonucleotide)n+m + AMP + beta-nicotinamide D-nucleotide
-
?
NAD+ + (deoxyribonucleotide)n-3'-hydroxyl + 5'-phospho-(deoxyribonucleotide)m
-
Wolbachia sp. subsp. Brugia malayi TRS (deoxyribonucleotide)n+m + AMP + beta-nicotinamide D-nucleotide
-
?

Synonyms

Synonyms Comment Organism
LigA
-
Wolbachia sp. subsp. Brugia malayi
NAD+-dependent DNA ligase
-
Wolbachia sp. subsp. Brugia malayi

Cofactor

Cofactor Comment Organism Structure
NAD+
-
Wolbachia sp. subsp. Brugia malayi

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00102
-
at pH 8.0 and 20°C Wolbachia sp. subsp. Brugia malayi 2,7-bis[(3,4,5-trimethoxyphenyl)methyl]cycloheptan-1-one
0.0023
-
at pH 8.0 and 20°C Wolbachia sp. subsp. Brugia malayi 1,6-bis(4-fluorophenyl)dispiro[2.1.2(5).2(3)]nonan-4-one
0.0029
-
at pH 8.0 and 20°C Wolbachia sp. subsp. Brugia malayi 1,6-bis(4-bromophenyl)dispiro[2.1.2(5).2(3)]nonan-4-one
0.0058
-
at pH 8.0 and 20°C Wolbachia sp. subsp. Brugia malayi 1,6-bis(3,4-dimethoxyphenyl)dispiro[2.1.2(5).2(3)]nonan-4-one
0.015
-
at pH 8.0 and 20°C Wolbachia sp. subsp. Brugia malayi 1,6-bis(4-methoxyphenyl)dispiro[2.1.2(5).3(3)]decan-4-one
0.0177
-
at pH 8.0 and 20°C Wolbachia sp. subsp. Brugia malayi 1,6-bis(4-methoxyphenyl)dispiro[2.1.2(5).2(3)]nonan-4-one
0.354
-
at pH 8.0 and 20°C Wolbachia sp. subsp. Brugia malayi 1,6-bis(3,4-dimethoxyphenyl)dispiro[2.1.2(5).3(3)]decan-4-one