Trimethoprim chemical structure

Fig. 10 Structure and atom numbering for trimethoprim. Reprinted with permission from [75] 2005, American Chemical Society...

Figure 52 Interaction potential of an amino group with the active site of Escherichia coli dihydrofolate reductase, calculated by GRID the water molecule H39 is treated as a structural part of the enzyme in the calculations. The energy contours are plotted at — 63 kj mol they indicate two sites of strong attraction. The position of trimethoprim relative to the active site was adjusted so that the amino nitrogens N2 and N4 are located in these regions (reproduced from Figure 8 of ref. [33] with permission from the American Chemical Society, Washington. DC, USA).

Benzylpyrimidine sulfonamides are based on the combination of a sulfonamide with trimethoprim or tetroxoprim. Chemically, trimethoprim is a 2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine and has the following structural formula. 

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