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Literature summary for 2.3.1.122 extracted from

  • Pant, R.; Joshi, A.; Maiti, P.; Nand, M.; Pande, V.; Chandra, S.
    Identification of potential mycolyltransferase Ag85C inhibitors of Mycobacterium tuberculosis H37Rv via virtual high throughput screening and binding free energy studies (2020), J. Mol. Graph. Model., 98, 107584 .
    View publication on PubMed
Search for more literature for 2.3.1.122

Inhibitors

Inhibitors Comment Organism Structure
(2S)-N-hydroxy-1-[4-(1,1'-biphenyl)-3,6-dihydropyridine-1(2H)-sulfonyl]piperidine-2-carboxamide compound identified by virtual screening, shows considerable hydrogen bonds with Ag85C during 100 ns simulation and predicted to be non-hepatotoxic, non-carcinogen, non-mutagenic and non-cytotoxic Mycobacterium tuberculosis
1-[(2S)-2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-pyrimidin-2-yloxyethanone compound identified by virtual screening, shows considerable hydrogen bonds with Ag85C during 100 ns simulation and predicted to be non-hepatotoxic, non-carcinogen, non-mutagenic and non-cytotoxic Mycobacterium tuberculosis
2-[[[(3R*,4R*)-4-(hydroxymethyl)-1-(2-methoxy-3-methylbenzoyl)pyrrolidin-3-yl]methyl](methyl)amino]ethanol compound identified by virtual screening, shows considerable hydrogen bonds with Ag85C during 100 ns simulation and predicted to be non-hepatotoxic, non-carcinogen, non-mutagenic and non-cytotoxic Mycobacterium tuberculosis
[(1R,2S,4S,5S,7R,9S,10S)-12-(hydroxymethyl)-4,5,15-trimethoxy-4,5-dimethyl-3,6,17-trioxatetracyclo[8.7.0.02,7.011,16]heptadeca-11,13,15-trien-9-yl]methanol compound identified by virtual screening, shows considerable hydrogen bonds with Ag85C during 100 ns simulation and predicted to be non-hepatotoxic, non-carcinogen, non-mutagenic and non-cytotoxic Mycobacterium tuberculosis

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis P9WQP3 cf. EC 2.3.1.20
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Mycobacterium tuberculosis H37Rv P9WQP3 cf. EC 2.3.1.20
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Synonyms

Synonyms Comment Organism
ag85C cf. EC 2.3.1.20 Mycobacterium tuberculosis