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Literature summary for 2.1.1.45 extracted from

  • Kumar, V.P.; Cisneros, J.A.; Frey, K.M.; Castellanos-Gonzalez, A.; Wang, Y.; Gangjee, A.; White, A.C.; Jorgensen, W.L.; Anderson, K.S.
    Structural studies provide clues for analog design of specific inhibitors of Cryptosporidium hominis thymidylate synthase-dihydrofolate reductase (2014), Bioorg. Med. Chem. Lett., 24, 4158-4161.
    View publication on PubMedView publication on EuropePMC
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Cloned(Commentary)

Cloned (Comment) Organism
-
 Cryptosporidium hominis

Crystallization (Commentary)

Crystallization (Comment) Organism
in complex with inhibitor 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid Cryptosporidium hominis

Inhibitors

Inhibitors Comment Organism Structure
2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid inhibitor of Cryptosporidium hominis thymidylate synthase with 5fold selectivity over the human enzyme. Compound also has anti-cryptosporidial activity in cell culture and inhibits dihydrofolate reductase enzyme activity with IC50 values of 0.049 microM Cryptosporidium hominis

Organism

Organism UniProt Comment Textmining
Cryptosporidium hominis
-
 bifunctional thymidylate synthase and dihydrofolate reductase
-

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00038
-
 pH not specified in the publication, temperature not specified in the publication Cryptosporidium hominis 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid