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

Journal of Molecular Structure: THEOCHEM

Volumn 666-667, Issue , 2003, Pages 409-414

  Keller, Jeremy H ^a,b   Chass, Gregory A ^a,b,c,d   Csizmadia, Imre G ^a,b,e  

^a Global Inst Compl Molec Mat Sci   (Canada)

^b UNIVERSITY OF TORONTO   (Canada)

^c Inst Sci d'Ingenierie S   (France)

^d CREIGHTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

^e UNIVERSITY OF SZEGED   (Hungary)

Author keywords

Ab initio; C1 Unit; Isodesmic; Tetrahydrofolate

Indexed keywords

CARBON; FOLIC ACID; PTERIDINE;

AB INITIO CALCULATION; CONFERENCE PAPER; DRUG CONFORMATION; INTRACELLULAR SPACE; REACTION ANALYSIS; REDUCTION; SUBSTITUTION REACTION; THEORETICAL MODEL;

EID: 1642518370     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.08.045     Document Type: Conference Paper

References (13)

1. IUPAC-IUB Commission on Biochemical Nomenclature (CBN).
2. Baggott J.E., Tamura T., Baker H. British Journal of Nutrition. 85:2001;653.
3. Fowler B. Kidney International. 59:2001;S221.
4. Scott J.M. Proceedings of the Nutrition Society. 58:1999;441.
5. Voet D., Voet J.G., Pratt C.W. Fundamentals of Biochemistry: Upgrade Edition. 2002;Wiley, New York. p.631.
6. Cossins E.A., Chen L. Phytochemistry. 45:(3):1997;437.
7. Selhub J. Annual Review of Nutrition. 19:1999;217.
8. Hehre W.J., Ditchfield R., Radom L., Pople J.A. Journal of the American Chemical Society. 91:1970;4796.
9. Revision A.9, M. J. Frisch, G. W. Trucks, H.B. Schlegel, G. E. Scuseria, M. A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian, Inc., Pittsburgh PA, GAUSSIAN 98, 1998.
10. Chass G.A., et al. International Journal of Quantum Chemistry. 90:2002;933.
11. Gilbert I.H. Biochimica et Biophysica Acta. 1597:2002;249.
12. Klon A.E., et al. Journal of Molecular Biology. 320:2002;677.
13. Bajorath J., Kraut J., Li Z., Kitson D.H., Hagler A.T. PNAS USA. 88:1991;6423.