Modeling of recognition sites of nucleic acid bases and amide side chains of amino acids. Combination of experimental and theoretical approaches

SHELKOVSKY, V. S ; STEPANIAN, S. G ; et al.

In: Molecular physics of building blocks of life under isolated or defined conditions, Jg. 20 (2002), Heft 3, S. 421-430

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A combined experimental-theoretical approach to modeling of building blocks of recognition complexes formed by nucleic acid bases and the amino-acids side-chain amino group is reviewed. The approach includes the temperature dependent field-ionization mass spectrometry and ab initio quantum chemical calculations. The mass spectrometric technique allows determination of interaction enthalpies of biomolecules in the gas phase, and the results it produces are directly comparable to the results obtained through theoretical modeling. In our works we have analyzed both thermodynamic and structural aspects of the recognition complexes of four canonical nucleic acid bases and acrylamide, which models the side chain of asparagine and glutamine. It has been shown that all bases can interact with amide group of the amino acids via their Waston-Crick sites when being incorporated into a single strand DNA or RNA. Stability of the complexes studied, expressed as -ΔH (kJ mole-1) decreases as: m9Gua (-59.5) > m1Cyt (-57.0) > m9Ade (-52.0) » m1Ura (-40.6). We have determined that in the double stranded DNA only purine bases can be recognized.

Titel:	Modeling of recognition sites of nucleic acid bases and amide side chains of amino acids. Combination of experimental and theoretical approaches
Autor/in / Beteiligte Person:	SHELKOVSKY, V. S ; STEPANIAN, S. G ; GALETICH, I. K ; KOSEVICH, M. V ; ADAMOWICZ, L
Link:	Full Text Finder (Volltext) View record from PASCAL Archive
Zeitschrift:	Molecular physics of building blocks of life under isolated or defined conditions, Jg. 20 (2002), Heft 3, S. 421-430
Veröffentlichung:	Les Ulis; Bologna; Berlin: EDP sciences, Società italiana di fisica, Springer, 2002
Medientyp:	academicJournal
Umfang:	print, 53 ref
ISSN:	1434-6060 (print)
Schlagwort:	Optics Optique Atomic molecular physics Physique atomique et moléculaire Sciences biologiques et medicales Biological and medical sciences Sciences biologiques fondamentales et appliquees. Psychologie Fundamental and applied biological sciences. Psychology Biophysique moleculaire Molecular biophysics Généralités General aspects Phénomènes intermoléculaires Intermolecular phenomena Interactions. Associations Theory and modeling; computer simulation Molecular interactions; membrane-protein interactions Acrylamide Aminoacide Aminoacid Aminoácido Base nucléique Nucleic base Base nucleica Base purique Purine base Base púrica Base pyrimidique Pyrimidine base Base pirimídica Calcul ab initio Ab initio calculations Chaleur formation Heat of formation Calor formación Dépendance température Temperature dependence Enthalpie Enthalpy Entalpía Etude expérimentale Experimental study Estudio experimental Etude théorique Theoretical study Estudio teórico Glutamine Glutamina Interaction moléculaire Molecular interaction Interacción molecular Ionisation champ Field ionization Ionización campo Moment dipolaire Dipole moment Momento dipolar Méthode fonctionnelle densité Density functional method Phase gazeuse Gas phase Fase gaseosa Propriété thermodynamique Thermodynamic properties Propiedad termodinámica Protéine Protein Proteína Reconnaissance moléculaire Molecular recognition Reconocimiento molecular Spectrométrie masse Mass spectrometry Espectrometría masa Structure moléculaire Molecular structure Estructura molecular Tautomère Tautomer Tautómero Interaction membrane protéine
Sonstiges:	Nachgewiesen in: PASCAL Archive Sprachen: English Original Material: INIST-CNRS Document Type: Article File Description: text Language: English Author Affiliations: Department of Molecular Biophysics, B. Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine, 47 Lenin avenue, Kharkov 61103, Ukraine ; IRSAMC, Laboratoire Physique Quantiqueb, Université Paul Sabatier, 118 route de Narbonne, 31062 Toulouse, France ; Department of Chemistry, University of Arizona, Tucson, Arizona 85721, United States Rights: Copyright 2003 INIST-CNRS ; CC BY 4.0 ; Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS Notes: Molecular biophysics

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