The Stereochemistry of Metal Complexes of Nucleic Acid Constituents

Hodgson, Derek J.

doi:10.1002/9780470166246.ch3

Cited by 214 publications

(5 citation statements)

References 152 publications

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“…In the acidic pH-range, N1 remains protonated, while the metal ion is attached to N7. The gradual change from N7-binding to N1-binding with increasing pH has been rather extensively documented by nuclear magnetic resonance (NMR) [34] and electron paramagnetic resonance (EPR) [35] spectroscopic measurements. Consequently, it is proposed that N(1) serves as a coordination site in the mixed ligand complexes of inosine at higher pH values.…”

Section: Resultsmentioning

confidence: 99%

Thermodynamic Investigation and Mixed Ligand Complex Formation of 1,4-Bis-(3-aminopropyl)-piperazine and Biorelevant Ligands

El‐Sherif

Shehata

Shoukry

et al. 2012

Bioinorganic Chemistry and Applications

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Thermodynamic parameters for protonation of 1,4-bis(3-aminopropyl)-piperazine (BAPP) and its metal complexation with some divalent metal ions were determined in aqueous solution at constant ionic strength (0.1 M NaNO3) using a potentiometric technique. The order of –ΔG0 and –ΔH0 was found to obey Co2+ < Ni2+ < Cu2+ > Zn2+, in accordance with the Irving-Williams order. The formation equilibria of zinc (II) complexes and the ternary complexes Zn(BAPP)L, where L = amino acid, amides, or DNA constituents), have been investigated. Ternary complexes are formed by a simultaneous mechanism. The concentration distribution of the complexes in solution was evaluated as a function of pH. Stoichiometry and stability constants for the complexes formed are reported and discussed. The stability of ternary complexes was quantitatively compared with their corresponding binary complexes in terms of the parameter Δlog K.

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Section: Resultsmentioning

confidence: 99%

Thermodynamic Investigation and Mixed Ligand Complex Formation of 1,4-Bis-(3-aminopropyl)-piperazine and Biorelevant Ligands

El‐Sherif

Shehata

Shoukry

et al. 2012

Bioinorganic Chemistry and Applications

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“…It interacts with biometallic ions such as cations of Mg, , Ca, , and Fe. , However, information dealing with the synthesis and physical and structural properties of pure metal urate salts is limited. On the other hand, considerable amount of attention has been devoted to the preparation and structural characterization of metal ion complexes with other purines owing to their importance in the medical and pharmacological arena. − …”

Section: Introductionmentioning

confidence: 99%

Theoretical Study of Interaction of Urate with Li⁺, Na⁺, K⁺, Be²⁺, Mg²⁺, and Ca²⁺Metal Cations

et al. 2006

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The geometries and energetics of complexes of Li(+), Na(+), K(+), Be(2+), Mg(2+), and Ca(2+)metal cations with different possible uric acid anions (urate) were studied. The complexes were optimized at the B3LYP level and the 6-311++G(d,p) basis set. Complexes of urate with Mg(2+), and Ca(2+)metal cations were also optimized at the MP2/6-31+G(d) level. Single point energy calculations were performed at the MP2/6-311++G(d,p) level. The interactions of the metal cations at different nucleophilic sites of various possible urate were considered. It was revealed that metal cations would interact with urate in a bi-coordinate manner. In the gas phase, the most preferred position for the interaction of Li(+), Na(+), and K(+) cations is between the N(3) and O(2) sites, while all divalent cations Be(2+), Mg(2+), and Ca(2+) prefer binding between the N(7) and O(6) sites of the corresponding urate. The influence of aqueous solvent on the relative stability of different complexes has been examined using the Tomasi's polarized continuum model. The basis set superposition error (BSSE) corrected interaction energy was also computed for complexes. The AIM theory has been applied to analyze the properties of the bond critical points (electron densities and their Laplacians) involved in the coordination between urate and the metal cations. It was revealed that aqueous solvation would have significant effect on the relative stability of complexes obtained by the interaction of urate with Mg(2+) and Ca(2+)cations. Consequently, several complexes were found to exist in the water solution. The effect of metal cations on different NH and CO stretching vibrational modes of uric acid has also been discussed.

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“…For changing the deprotonating from N(1)and N(9) sites, acid-base equilibria of adenine in the protonated form (H2L + ) used. Existing of Cu(Oxp)(L) species in adenine, make the mixed-ligand titration of adenine is the best model, notably by Hodgson, discussed the addition of adenine to a metal center and both solid complex and solution studies which have indicated that N(9) is the ligating site [21]. For indication of the relative stability for the ternary complexes formed by simultaneous mechanism, the ∆ log K values are used, comparing to corresponding binary complexes, which can be calculated by eqn.…”

Section: Resultsmentioning

confidence: 99%

Stability Constants of Mixed-Ligand Complexes of Cu(II) with Oxprenolol HCl as Pharmaceutical Ligand and Some Biologically Active Ligands

Alturiqi¹

2017

Asian J. Chem.

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The oxprenolol-Cu(II) complexes have been used as DNA constituents (L) and antihypertensive drug. In this study, the formation constants of these complexes, which formed in H2O/MeOH (80:20) solution and their concentration distributions were assessed at ionic strength of 0.1 mol/L NaClO4 at 25 °C. Stability constants and the values of ∆ log K for the targeted complexes have also been evaluated depending on pH meter.

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The Stereochemistry of Metal Complexes of Nucleic Acid Constituents

Cited by 214 publications

References 152 publications

Thermodynamic Investigation and Mixed Ligand Complex Formation of 1,4-Bis-(3-aminopropyl)-piperazine and Biorelevant Ligands

Thermodynamic Investigation and Mixed Ligand Complex Formation of 1,4-Bis-(3-aminopropyl)-piperazine and Biorelevant Ligands

Theoretical Study of Interaction of Urate with Li⁺, Na⁺, K⁺, Be²⁺, Mg²⁺, and Ca²⁺Metal Cations

Stability Constants of Mixed-Ligand Complexes of Cu(II) with Oxprenolol HCl as Pharmaceutical Ligand and Some Biologically Active Ligands

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The Stereochemistry of Metal Complexes of Nucleic Acid Constituents

Cited by 214 publications

References 152 publications

Thermodynamic Investigation and Mixed Ligand Complex Formation of 1,4-Bis-(3-aminopropyl)-piperazine and Biorelevant Ligands

Thermodynamic Investigation and Mixed Ligand Complex Formation of 1,4-Bis-(3-aminopropyl)-piperazine and Biorelevant Ligands

Theoretical Study of Interaction of Urate with Li+, Na+, K+, Be2+, Mg2+, and Ca2+Metal Cations

Stability Constants of Mixed-Ligand Complexes of Cu(II) with Oxprenolol HCl as Pharmaceutical Ligand and Some Biologically Active Ligands

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Theoretical Study of Interaction of Urate with Li⁺, Na⁺, K⁺, Be²⁺, Mg²⁺, and Ca²⁺Metal Cations