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Literature summary for 1.5.1.3 extracted from

  • Uddin, N.; Ahmed, S.; Khan, A.M.; Mazharol Hoque, M.; Halim, M.A.
    Halogenated derivatives of methotrexate as human dihydrofolate reductase inhibitors in cancer chemotherapy (2020), J. Biomol. Struct. Dyn., 38, 901-917 .
    View publication on PubMed
Search for more literature for 1.5.1.3

Inhibitors

Inhibitors Comment Organism Structure
methotrexate
-
 Homo sapiens
N-(4-[[(4-amino-2-[[(2,4,6-trifluorophenyl)carbamoyl]amino]pteridin-6-yl)methyl](methyl)amino]benzoyl)-L-glutamic acid halogenated derivative of methotrexate, binding affinity value -34.73 kJ/mol Homo sapiens
N-[4-[[(2,4-diaminopteridin-6-yl)methyl](methyl)amino]-2-(trifluoroacetyl)benzoyl]-L-glutamic acid halogenated derivative of methotrexate, shows better binding affinity and a good number of hydrogen and other non-bonding interactions. Binding affinity value -35.14 kJ/mol Homo sapiens
N-[4-[[(2,4-diaminopteridin-6-yl)methyl](methyl)amino]-2-(trifluoromethyl)benzoyl]-L-glutamic acid halogenated derivative of methotrexate, shows better binding affinity and a good number of hydrogen and other non-bonding interactions. Binding affinity value -35.98 kJ/mol Homo sapiens
N-[4-[[(2,4-diaminopteridin-6-yl)methyl](methyl)amino]-3-(trifluoromethyl)benzoyl]-L-glutamic acid halogenated derivative of methotrexate, shows better binding affinity and a good number of hydrogen and other non-bonding interactions. Binding affinity value -35.56 kJ/mol Homo sapiens
N-[4-[[(2,4-diaminopteridin-6-yl)methyl](methyl)amino]-5-fluoro-2-(trifluoromethyl)benzoyl]-L-glutamic acid halogenated derivative of methotrexate, shows better binding affinity and a good number of hydrogen and other non-bonding interactions. Binding affinity value -35.14 kJ/mol Homo sapiens
N-[4-[[(4-amino-2-[[(2,4-difluorophenyl)carbamoyl]amino]pteridin-6-yl)methyl](methyl)amino]-2-(trifluoromethyl)benzoyl]-L-glutamic acid halogenated derivative of methotrexate, shows better binding affinity and a good number of hydrogen and other non-bonding interactions. Binding affinity value -36.40 kJ/mol Homo sapiens
N-[4-[[(4-amino-2-[[(4-fluorophenyl)carbamoyl]amino]pteridin-6-yl)methyl](methyl)amino]-2-(trifluoromethyl)benzoyl]-L-glutamic acid halogenated derivative of methotrexate, binding affinity value -34.73 kJ/mol Homo sapiens
N-[4-[[[4-amino-2-([[4-(trifluoromethyl)phenyl]carbamoyl]amino)pteridin-6-yl]methyl](methyl)amino]-2-(trifluoromethyl)benzoyl]-L-glutamic acid halogenated derivative of methotrexate, shows better binding affinity and a good number of hydrogen and other non-bonding interactions. Binding affinity value -35.14 kJ/mol Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P00374
-
-