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Molecular Cancer Therapeutics
Molecular Cancer Therapeutics

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About the Cover

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On The Cover

The geometry of methotrexate (MTX) in the cocrystal with thymidine synthetase (top) and with dihydrofolate reductase (bottom) is shown in green using atomic coordinates obtained from The Protein Data Bank. Molecular modeling was then used to determine the energy minimized geometry for MTX in these complexes and is shown for each enzyme: MTX complex in yellow. The introduction of a fluorine atom at the 3'-position on MTX (in FMTX) causes only small changes in the geometry of the antifolate within the complexes (shown in red). Slightly more favorable binding energies for FMTX are also predicted based on the molecular modeling results. FMTX is intended to be used as an in vivo 19F magnetic resonance probe of MTX pharmacokinetics in solid tumors. For details, see 933 in this issue.

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Molecular Cancer Therapeutics: 2 (10)
October 2003
Volume 2, Issue 10
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Issue Highlights

  • A fluorine-labeled methotrexate as a probe for monitoring tumor antifolate pharmacokinetics: Synthesis, in vitro cytotoxicity, and pilot in vivo 19F magnetic resonance spectra
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Copyright © 2019 by the American Association for Cancer Research.

Molecular Cancer Therapeutics
eISSN: 1538-8514
ISSN: 1535-7163

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