Beilstein J. Org. Chem.2017,13, 2252–2263, doi:10.3762/bjoc.13.222
/bjoc.13.222 Abstract The complexation of the antifolate pemetrexed (PTX) with native cyclodextrins was studied. This process, along with the findings gathered for the structurally related folic acid was treated as a model for exploiting host–guest interactions of this class of guest molecules in the
equivalent – methyl α-D-glucopyranoside – was investigated for a deeper understanding of the type of host–guest interactions. Solid state studies of PTX/CDs were performed using FTIR–ATR and Raman spectroscopy techniques.
Keywords: antifolate; cyclodextrin; hydrophobic interactions; inclusion complexes
the guest molecule is located inside the CD cavity.
The present study serves two purposes. The first is studying of the process of formation of the host–guest complexes of all three native CDs with PTX, an antifolate exhibiting considerable toxicity and their detailed characterization in the gas phase
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Graphical Abstract
Figure 1:
Molecular structures with atom numbering of the guest (a: from left to right): pemetrexed (PTX) and...
Beilstein J. Org. Chem.2006,2, No. 8, doi:10.1186/1860-5397-2-8
Trimethoprim [2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidine] is an antifolate drug. It selectively inhibits the bacterial dihydrofolate reductase (DHFR) enzyme.
Results
In the crystal structures of trimethoprim (TMP)-hydrogen phthalate (1) and trimethoprim-hydrogen adipate (2), one of the N atoms of the
potential. Trimethoprim [2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidine] (TMP) is an antifolate drug. In the protonated form, it exerts its activity through the inhibition of the enzyme dihydrofolate reductase (DHFR) [8]. In most of the trimethoprim-carboxylate salts, one of the nitrogen atoms of the
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Graphical Abstract
Figure 1:
The schematic diagram for the various hydrogen-bonded motifs observed in compound (1).