Polarization in the structures of uracil and thiouracils: Implication for binding with orotidine 5'-monophosphate decarboxylase.

Abstract:

:The structures of the uracil and thiouracils were examined using NMR spectroscopy and crystal structure data when available. The relationships between the extent of polarization and the C5-C6 bond length as well as the H5-H6 coupling constants were probed. It was found that the bond length and coupling constants correlate well with the proton affinities at the carbonyl or thiocarbonyl groups at C4 but not C2. The possible implication in the tighter binding of thiouracil based nucleotides to orotidine-5'-monophosphate decarboxylase was discussed.

journal_name

Bioorg Med Chem Lett

authors

Huang S,Gronert S,Wu W

doi

10.1016/j.bmcl.2011.08.109

subject

Has Abstract

pub_date

2011-11-01 00:00:00

pages

6341-2

issue

21

eissn

0960-894X

issn

1464-3405

pii

S0960-894X(11)01208-X

journal_volume

21

pub_type

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