An isodesmic comparison of the C1 modified reduced pteridine ring as a folic acid model

Jeremy H. Keller, Gregory A. Chass, I. Csizmadia

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Tetrahydrofolate or pteroyl glutamate (H4PteGlu) functions as a single carbon (C1) carrier and a cofactor for intracellular reactions. The reduced pteridine ring of H4PteGlu was used as a model for the six C1 substituted forms and the unsubstituted form of H4PteGlu. An isodesmic reaction was performed using ab initio molecular orbital calculations at the Restricted Hartree-Fock 3-21G level of theory. The isodesmic reaction allows for further characterization of the relationships between the C1 units beyond the biochemical and provides the foundation for further analysis.

Original languageEnglish
Pages (from-to)409-414
Number of pages6
JournalJournal of Molecular Structure: THEOCHEM
Volume666-667
DOIs
Publication statusPublished - Dec 29 2003

Fingerprint

folic acid
Pteridines
Orbital calculations
Molecular orbitals
Folic Acid
Glutamic Acid
Carbon
Acids
rings
glutamates
molecular orbitals
carbon
5,6,7,8-tetrahydrofolic acid

Keywords

  • Ab initio
  • C Unit
  • Isodesmic
  • Tetrahydrofolate

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Computational Theory and Mathematics
  • Atomic and Molecular Physics, and Optics

Cite this

An isodesmic comparison of the C1 modified reduced pteridine ring as a folic acid model. / Keller, Jeremy H.; Chass, Gregory A.; Csizmadia, I.

In: Journal of Molecular Structure: THEOCHEM, Vol. 666-667, 29.12.2003, p. 409-414.

Research output: Contribution to journalArticle

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