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Literature summary extracted from

  • Snasel, J.; Naus, P.; Dostal, J.; Hnizda, A.; Fanfrlik, J.; Brynda, J.; Bourderioux, A.; Dusek, M.; Dvorakova, H.; Stolarikova, J.; Zabranska, H.; Pohl, R.; Konecny, P.; Dzubak, P.; Votruba, I.; Hajduch, M.; Rezacova, P.; Veverka, V.; Hocek, M.; Pichova, I.
    Structural basis for inhibition of mycobacterial and human adenosine kinase by 7-substituted 7-(het)aryl-7-deazaadenine ribonucleosides (2014), J. Med. Chem., 57, 8268-8279.
    View publication on PubMed

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
2.7.1.20 structures of complexes of Mycobacterium tuberculosis and human ADKs with 7-ethynyl-7-deazaadenosine show differences in inhibitor interactions in the adenosine binding sites. Inhibitors are readily accommodated into the ATP and adenosine binding sites of Mycobacterium tuberculosis ADK, whereas they bind preferentially into the adenosine site of human ADK Mycobacterium tuberculosis
2.7.1.20 structures of complexes of Mycobacterium tuberculosis and human ADKs with 7-ethynyl-7-deazaadenosine show differences in inhibitor interactions in the adenosine binding sites. Inhibitors are readily accommodated into the ATP and adenosine binding sites of Mycobacterium tuberculosis ADK, whereas they bind preferentially into the adenosine site of human ADK Homo sapiens

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.7.1.20 7-(2-naphthyl)-7-deazaadenine most active compound against Mycobacterium tuberculosis strain My331/88 and drug-resistant strain Praha 131 in vitro, MIC is 2 or 4 microM, respectively, cytotoxic to human cells Homo sapiens
2.7.1.20 7-(2-naphthyl)-7-deazaadenine most active compound against Mycobacterium tuberculosis strain My331/88 and drug-resistant strain Praha 131 in vitro, MIC is 2 or 4 microM, respectively, cytotoxic to human cells Mycobacterium tuberculosis
2.7.1.20 7-(3-dibenzo[b,d]furanyl)-7-deazaadenine submicromolar Mycobacterium tuberculosis-specific inhibitor, and active against Mycobacterium tuberculosis strains with a MIC of 4 microM Mycobacterium tuberculosis
2.7.1.20 additional information synthesis of 7-(het)aryl-7-deazaadenine ribonucleosides bearing small and bulky substituents in position 7. Compounds bearing smaller substituents inhibit both human and Mycobacterium tuberculosis ADK and are cytotoxic, whereas several bulky derivatives are specific inhibitors of the Mycobacterium tuberculosis enzyme and are not cytotoxic Homo sapiens
2.7.1.20 additional information synthesis of 7-(het)aryl-7-deazaadenine ribonucleosides bearing small and bulky substituents in position 7. Compounds bearing smaller substituents inhibit both human and Mycobacterium tuberculosis ADK and are cytotoxic, whereas several bulky derivatives are specific inhibitors of the Mycobacterium tuberculosis enzyme and are not cytotoxic Mycobacterium tuberculosis

Organism

EC Number Organism UniProt Comment Textmining
2.7.1.20 Homo sapiens P55263
-
-
2.7.1.20 Mycobacterium tuberculosis P9WID5
-
-
2.7.1.20 Mycobacterium tuberculosis H37Rv P9WID5
-
-

Synonyms

EC Number Synonyms Comment Organism
2.7.1.20 AdoK
-
 Mycobacterium tuberculosis

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.7.1.20 0.0006
-
 pH 8.0, 37°C Mycobacterium tuberculosis 7-(3-dibenzo[b,d]furanyl)-7-deazaadenine
2.7.1.20 0.005
-
 above 5 micoM, pH 8.0, 37°C Homo sapiens 7-(2-naphthyl)-7-deazaadenine
2.7.1.20 0.0053
-
 pH 8.0, 37°C Mycobacterium tuberculosis 7-(2-naphthyl)-7-deazaadenine