Molecular orbital studies on the conformations of 8-amino- and 8-dimethylaminoadenosine 5'-monophosphate.

@article{Pohorille1978MolecularOS,
  title={Molecular orbital studies on the conformations of 8-amino- and 8-dimethylaminoadenosine 5'-monophosphate.},
  author={Andrew Pohorille and David P{\'e}rahia and Bernard Pullman},
  journal={Biochimica et biophysica acta},
  year={1978},
  volume={517 2},
  pages={
          511-6
        }
}
View on PubMed
doi.org
13 Citations

13 Citations

Comparison of theoretical and experimental approaches to determination of conformation of nucleosides about the glycosidic bond.

Spectroscopic, kinetic and semiempirical molecular orbital studies on 8-amino-, 8-methylamino- & 8-dimethylamino-adenosines

9-beta-D-Arabinofuranosyl-8-n-butylaminoadenine, a C-8 substituted nucleoside in the anti conformation. Crystallographic and NMR studies.

Force field conformational analysis of aminofluorene and acetylaminofluorene substituted deoxyguanosine.

Correlation between NMR spectral parameters of nucleosides and its implication to the conformation about the glycosyl bond.

Probing the sensitivity of 31P NMR chemical shifts to hydrogen bonding and to stereochemistry

Theoretical studies of nucleic acid conformation: potential energies, chain statistics, and model building

The collected results provide considerable insight into the influence of primary covalent bond structure upon the three-dimensional geometry of these macromolecules and additionally clarify the relationship between the various spatial arrangements and the configuration-dependent properties of the polynucleotide as a whole.

Synthesis of oxygen-linked 8-phenoxyl-deoxyguanosine nucleoside analogues.

A relatively facile synthesis of O-linked 8-dG phenol adducts with a wide variety of electron-donating, electron-withdrawing, and sterically demanding phenols is reported.

Principles in Substrate and Conformation Specificity of Nucleotide-Converting Enzymes

There are, however, surprisingly few systematic studies on the structural origins of nucleotide specificity.

Isoleucyl-tRNA synthetase from Baker's yeast. Action of ATP analogs in pyrophosphate exchange and aminoacylation, two pathways of the aminoacylation depending on concentration of pyrophosphate.

The order of substrate addition to isoleucyl-tRNA synthetase from baker's yeast has been investigated by steady-state kinetics with inhibition by four different inhibiting ATP analogs acting…

References

SHOWING 1-10 OF 14 REFERENCES

8-Alkylaminoadenyl nucleotides as probes of dehydrogenase interactions with nucleotide analogs of different glycosyl conformation.

Complementary studies on the rigidity‐flexibility of nucleotides

The Crystal Structure of Adenosine

The crystal structure of adenosine, C10Ht3NsO4, has been determined from the intensities of 1333 reflections, each measured at least four times on an automated diffractomcter. The crystals are…

The intramolecular conformation of adenosine 5'-monophosphate in aqueous solution as studied by fast Fourier transform 1H and 1H-(31P) nuclear magnetic resonance spectroscopy.

An extended Hückel molecular orbital approach to the study of the electronic structures and barriers to Syn–Anti interconversion in Syn purine nucleosides

The total energy and the electronic properties of some syn purine nucleosides have been determined as a function of the rotation angle around the C–N glycosidic linkage. Invariably, the…

Lennard-Jones potential calculations of the barrier to rotation around the glycosidic C-N linkage in selected purine nucleosides and nucleotides. A direct comparison of the results of 6-12 potential calculations with results of semiempirical molecular orbital studies.

  • F. Jordan
  • Chemistry
    Journal of theoretical biology
  • 1973

Stereochemistry of nucleic acids and their constituents. IV. Allowed and preferred conformations of nucleosides, nucleoside mono‐, di‐, tri‐, tetraphosphates, nucleic acids and polynucleotides

A uniform notation and convention is suggested to describe the torsional angles in nucleic acids and their derivatives. The torsional angle χ, relating the stereochemistry of the base with respect to…

Quantum-mechanical studies on the conformation of nucleic acids and their constituents.

The conformation of adenosine diphosphoribose and 8-bromoadenosine diphosphoribose when bound to liver alcohol dehydrogenase.

It was found that ADP-Rib had a conformation very similar to the corresponding part of NAD+, when NAD+ is bound to lactate and malate dehydrogenase, in contrast to the syn conformation found in 8-bromo-adenosine.

X-ray study of 1,5,N(4),N(4)-tetramethylcytosine – an overcrowded molecule with planar structure

LrN, G. H.-Y. & SUNDARALINGAM, M. (1971). Acta Cryst. B27, 961-969. LtN, G. H.-Y., SUNDARALINGAM, M. & ARORA, S. K. (1971). J. Amer. Chem. Soc. 93, 1235-1241. MOTHERWELL, W. D. S., RIVA OI…