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Literature summary extracted from

  • He, X.; Alian, A.; Stroud, R.; Ortiz de Montellano, P.R.
    Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis (2006), J. Med. Chem., 49, 6308-6323.
    View publication on PubMedView publication on EuropePMC

Application

EC Number Application Comment Organism
1.3.1.9 medicine tuberculosis, TB, target of anti-tubercular agents Mycobacterium tuberculosis

Cloned(Commentary)

EC Number Cloned (Comment) Organism
1.3.1.9 into a pET15b vector for expression in Escherichia coli BL21-Gold (DE3) Mycobacterium tuberculosis

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.3.1.9 1-cyclohexyl-N-(3,5-diphenyl-4-hydroxyl)phenyl-5-oxopyrrolidine-3-carboxamide best inhibitor of the sreening with an IC50: 62 nanoM Mycobacterium tuberculosis
1.3.1.9 pyrrolidine carboxamide IC50: 10.05 microM, chosen as a lead structure for further structure optimization Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
1.3.1.9 acyl-[acyl-carrier protein] + NAD+ Mycobacterium tuberculosis
-
 trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
-
 ?
1.3.1.9 acyl-[acyl-carrier protein] + NAD+ Mycobacterium tuberculosis H37Rv
-
 trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
1.3.1.9 Mycobacterium tuberculosis P9WGR1
-
-
1.3.1.9 Mycobacterium tuberculosis H37Rv P9WGR1
-
-

Purification (Commentary)

EC Number Purification (Comment) Organism
1.3.1.9 using a 15Q high-resolution anion exchange column and a Hightrap butyl Sepharose column Mycobacterium tuberculosis

Storage Stability

EC Number Storage Stability Organism
1.3.1.9 -20°C, 30 mM PIPES, pH 6.8, 50% glycerol, 6 months Mycobacterium tuberculosis

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.3.1.9 acyl-[acyl-carrier protein] + NAD+
-
 Mycobacterium tuberculosis trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
-
 ?
1.3.1.9 acyl-[acyl-carrier protein] + NAD+
-
 Mycobacterium tuberculosis H37Rv trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH + H+
-
 ?

Synonyms

EC Number Synonyms Comment Organism
1.3.1.9 enoyl acyl carrier protein reductase
-
 Mycobacterium tuberculosis
1.3.1.9 enoyl-[acyl-carrier-protein] reductase
-
 Mycobacterium tuberculosis
1.3.1.9 ENR
-
 Mycobacterium tuberculosis
1.3.1.9 InhA
-
 Mycobacterium tuberculosis

Temperature Optimum [°C]

EC Number Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
1.3.1.9 23
-
 activity assay Mycobacterium tuberculosis

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
1.3.1.9 6.8
-
 activity assay Mycobacterium tuberculosis

Cofactor

EC Number Cofactor Comment Organism Structure
1.3.1.9 NADH
-
 Mycobacterium tuberculosis

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
1.3.1.9 0.000062
-
 best inhibitor of the sreening with an IC50: 62 nanoM Mycobacterium tuberculosis 1-cyclohexyl-N-(3,5-diphenyl-4-hydroxyl)phenyl-5-oxopyrrolidine-3-carboxamide
1.3.1.9 0.01005
-
 IC50: 10.05 microM, chosen as a lead structure for further structure optimization Mycobacterium tuberculosis pyrrolidine carboxamide