Effect of dielectric medium on angiotensin converting enzyme inhibitors binding to Zn2+

No abstract is available for this paper.

• Publication year

  2010

• Venue

  Chemical Papers

• Publication date

  2010-03-31

• Fields of study

  Medicine, Chemistry

• Identifiers
  DOI 10.2478/s11696-010-0005-y
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

• A New Definition.

  2009cited by this paper
• Thermodynamics of binding of angiotensin-converting enzyme inhibitors to enzyme active site model

  2008cited by this paper
• Acidity, lipophilicity, solubility, absorption, and polar surface area of some ACE inhibitors

  2007influential reference
• The structure of testis angiotensin-converting enzyme in complex with the C domain-specific inhibitor RXPA380.

  2007cited by this paper
• Crystal structure of the N domain of human somatic angiotensin I-converting enzyme provides a structural basis for domain-specific inhibitor design.

  2006cited by this paper
• Synthesis of novel keto-ACE analogues as domain-selective angiotensin I-converting enzyme inhibitors.

  2006cited by this paper
• Effect of metal ions (Li+, Na+, K+, Mg2+, Ca2+, Ni2+, Cu2+, and Zn2+) and water coordination on the structure of glycine and zwitterionic glycine.

  2006cited by this paper
• Theoretical Study of Gas-Phase Acidities of Selected Angiotensin-Converting Enzyme Inhibitors

  2005cited by this paper
• Structure and Gas-Phase Stability of Zn(II)—Molecule Complexes

  2005cited by this paper
• Current Inhibition Concepts of Zinc Metallopeptidases Involved in Blood Pressure Regulation

  2005cited by this paper
• Development of Domain‐Selective Angiotensin I‐Converting Enzyme Inhibitors

  2005cited by this paper
• Structural details on the binding of antihypertensive drugs captopril and enalaprilat to human testicular angiotensin I-converting enzyme.

  2004influential reference
• A calorimetric study of the binding of lisinopril, enalaprilat and captopril to angiotensin-converting enzyme.

  2004cited by this paper
• Two-Layer ONIOM Calculation of Gas-Phase Acidities of Selected ACE Inhibitors

  2004cited by this paper
• Crystal structure of the human angiotensin-converting enzyme–lisinopril complex

  2003cited by this paper
• Advances in angiotensin converting enzyme inhibitors (ACEIs) and angiotensin receptor blockers (ARBs).

  2003cited by this paper
• Principles governing Mg, Ca, and Zn binding and selectivity in proteins.

  2003cited by this paper
• Coordination and Thermodynamics of Stable Zn(II) Complexes in the Gas Phase

  2003cited by this paper
• Thermodynamics of binding of Zn2+ to carbonic anhydrase inhibitors

  2003cited by this paper
• Announcing the worldwide Protein Data Bank

  2003cited by this paper
• Preferred Conformation of Selected ACE Inhibitors for Interactionwith ACE Active Site

  2002cited by this paper
• Ab initio density functional theory calculations and vibrational analysis of zinc-bound 4-methylimidazole as a model of a histidine ligand in metalloenzymes

  2002cited by this paper
• Quantum Chemistry Study on the Interaction of the Exogenous Ligands and the Catalytic Zinc Ion in Matrix Metalloproteinases

  2002cited by this paper
• Intramolecular chelation of Zn2+ by α‐ and β‐mercaptocarboxamides. A parallel ab initio and polarizable molecular mechanics investigation. Assessment of the role of multipole transferability

  2001cited by this paper
• Angiotensin I-converting Enzyme Transition State Stabilization by His1089

  2001cited by this paper
• Model studies for molecular recognition of carbonic anhydrase and carboxypeptidase.

  2001cited by this paper
• Models for protein–zinc ion binding sites. II. The catalytic sites*

  2001cited by this paper
• Tetrahedral vs Octahedral Zinc Complexes with Ligands of Biological Interest: A DFT/CDM Study

  2000influential reference
• Function and mechanism of zinc metalloenzymes.

  2000cited by this paper
• Interaction of neutral and zwitterionic glycine with Zn2+ in gas phase: ab initio and SIBFA molecular mechanics calculations

  2000cited by this paper
• Low dielectric response in enzyme active site.

  2000influential reference
• Proton Dissociation Energies of Zinc-Coordinated Hydroxamic Acids and Their Relative Affinities for Zinc: Insight into Design of Inhibitors of Zinc-Containing Proteinases

  2000cited by this paper
• Binding Energies for Doubly-Charged Ions M2+ = Mg2+, Ca2+ and Zn2+ with the Ligands L = H2O, Acetone and N-methylacetamide in Complexes M for n = 1 to 7 from Gas Phase Equilibria Determinations and Theoretical Calculations

  2000cited by this paper
• Thermodynamics of binding of Li+, Na+, Mg2+ and Zn2+ to Lewis bases in the gas phase

  2000cited by this paper
• Zinc's affect on proton transfer between imidazole and acetate predicted by ab initio calculations

  2000cited by this paper
• Parallel ab initio and molecular mechanics investigation of polycoordinated Zn(II) complexes with model hard and soft ligands: Variations of binding energy and of its components with number and charges of ligands

  2000cited by this paper
• Metal Binding in Proteins: The Effect of the Dielectric Medium

  2000influential reference
• Molecular orbital study of complexes of zinc(II) with sulphide, thiomethanolate, thiomethanol, dimethylthioether, thiophenolate, formiate, acetate, carbonate, hydrogen carbonate, iminomethane and imidazole. Relationships with structural and catalytic zinc in some metallo-enzymes.

  1999cited by this paper
• Carboxylate binding modes in zinc proteins: a theoretical study.

  1999cited by this paper
• Ab Initio Calculations of Proton Dissociation Energies of Zinc Ligands: Hypothesis of Imidazolate as Zinc Ligand in Proteins

  1999cited by this paper
• Manganese as a Replacement for Magnesium and Zinc: Functional Comparison of the Divalent Ions

  1999cited by this paper
• Modeling of inhibitor–metalloenzyme interactions and selectivity using molecular mechanics grounded in quantum chemistry

  1998cited by this paper
• Hydration of Beryllium, Magnesium, Calcium, and Zinc Ions Using Density Functional Theory

  1998cited by this paper
• Angiotensin-converting enzyme inhibitors.

  1998cited by this paper
• Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

  1998cited by this paper
• A new definition of cavities for the computation of solvation free energies by the polarizable continuum model

  1997cited by this paper
• Hydration and Water Exchange of Zinc(II) Ions. Application of Density Functional Theory

  1997cited by this paper
• Ab Initio Study of the Structures, Energetics, and Spectra of Aquazinc(II)

  1996cited by this paper
• Density-functional thermochemistry.

  1996cited by this paper
• Calcium Ion Coordination: A Comparison with That of Beryllium, Magnesium, and Zinc

  1996cited by this paper
• Internal and interfacial dielectric properties of cytochrome c from molecular dynamics in aqueous solution.

  1995cited by this paper
• Hydration of Zinc Ions: A Comparison with Magnesium and Beryllium Ions

  1995cited by this paper
• Density-functional thermochemistry. III. The role of exact exchange

  1993cited by this paper
• Dielectric properties of trypsin inhibitor and lysozyme calculated from molecular dynamics simulations

  1993cited by this paper
• Theoretical calculations on the structure of the hexahydrated divalent zinc, cadmium and mercury ions

  1990cited by this paper
• The binding of benzenesulfonamides to carbonic anhydrase enzyme. A molecular mechanics study and quantitative structure-activity relationships.

  1989cited by this paper
• Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.

  1988influential reference
• A theoretical study of the dielectric constant of protein.

  1988cited by this paper
• Density-functional exchange-energy approximation with correct asymptotic behavior.

  1988influential reference
• Substituted 1,3,4-thiadiazoles with anticonvulsant activity. 3. Guanidines.

  1987cited by this paper
• The dielectric constant of a folded protein

  1986cited by this paper
• Recent developments in the design of angiotensin‐converting enzyme inhibitors

  1985cited by this paper
• Structure and refinement of penicillopepsin at 1.8 A resolution.

  1983cited by this paper
• The internal dynamics of globular proteins.

  1981cited by this paper
• Dielectric and electronic properties of biological materials

  1979cited by this paper
• Angiotensin I converting enzyme.

  1975cited by this paper
• Relation between dielectric behavior and structure in some solid polypeptides

  1973cited by this paper
• Rheo‐optical studies of the nature of the α mechanical loss mechanism of polyethylene

  1973cited by this paper
• Conversion of retinyl methyl ether into retinol in the rat in vitro.

  1972cited by this paper

• An Abiotic Mimic of Endogenous Tissue Inhibitors of Metalloproteinases. Engineering Synthetic Polymer Nanoparticles for use as a Broad-Spectrum Metalloproteinase Inhibitor.

  2020cites this paper
• The unimolecular chemistry of [Zn(amino acid)2-H]+ in the gas phase: H2 elimination when the amino acid is a secondary amine.

  2014cites this paper
• Electronic structures and spectroscopic regularities of phenylene-modified SWCNTs

  2011cites this paper