313269-51-1Relevant articles and documents
Computational predictions of binding affinities to dihydrofolate reductase: Synthesis and biological evaluation of methotrexate analogues
Graffner-Nordberg,Marelius,Ohlsson,Persson,Swedberg,Andersson,Andersson,Aqvist,Hallberg
, p. 3852 - 3861 (2000)
The relative binding affinities to human dihydrofolate reductase of four new potential antifolates, containing ester linkages between the two aromatic systems, were estimated by free energy perturbation simulations. The ester analogue, predicted to exhibi