Supplemental material
Journal of Enzyme Inhibition and Medicinal Chemistry
Volume 33, 2018 - Issue 1
Research Paper
Synthesis, X-ray structure, in silico calculation, and carbonic anhydrase inhibitory properties of benzylimidazole metal complexes
, 
, , , , , , & show all
Sofiane BouacidaResearch Unit for Chemistry of the Environment and Molecular Structural, University of Constantine 1, Constantine, Algeria; ;Department of Materials Science, Larbi Ben Mhidi University, Oum El Bouaghi, Algeria; http://orcid.org/0000-0001-8142-2739View further author information
http://orcid.org/0000-0001-8142-2739View further author information, , , , Zouhair BouazizUniversité de Lyon, Université Claude Bernard Lyon 1, Faculté de Pharmacie - ISPB, EA 4446 Bioactive Molecules and Medicinal Chemistry, SFR Santé Lyon-Est CNRS UMS3453-INSERM US7, Lyon, Francehttp://orcid.org/0000-0002-9948-0272View further author information
http://orcid.org/0000-0002-9948-0272View further author information, Marc Le BorgneUniversité de Lyon, Université Claude Bernard Lyon 1, Faculté de Pharmacie - ISPB, EA 4446 Bioactive Molecules and Medicinal Chemistry, SFR Santé Lyon-Est CNRS UMS3453-INSERM US7, Lyon, FranceCorrespondence[email protected]
http://orcid.org/0000-0003-1398-075XView further author information
http://orcid.org/0000-0003-1398-075XView further author information, Claudiu T. SupuranNeurofarba Department, Section of Pharmaceutical Chemistry, University of Florence, Firenze, Sesto Fiorentino (Firenze), Italy; http://orcid.org/0000-0003-4262-0323View further author information
http://orcid.org/0000-0003-4262-0323View further author information & show allRelated Research Data
Unsymmetrical 1,1'-disubstituted ferrocenes: synthesis of Co(ii), Cu(ii), Ni(ii) and Zn(ii) chelates of ferrocenyl -1-thiadiazolo-1'-tetrazole, -1-thiadiazolo-1'-triazole and -1-tetrazolo-1'-triazole with antimicrobial properties.
Source:
Informa UK Limited
Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy: Molecular Properties from Density Functional Theory Orbital Energies
Source:
American Chemical Society (ACS)
Density Functional Calculations of Molecular Bond Energies
Source:
AIP Publishing
Application of density functional theory to infrared absorption intensity calculations on transition-metal carbonyls
Source:
American Chemical Society (ACS)
Molecular structure, bonding analysis and redox properties of transition metal–Hapca [bis(3-aminopyrazine-2-carboxylic acid)] complexes: A theoretical study
Source:
Elsevier BV
Hot-Pressing Method To Prepare Imidazole-Based Zn(II) Metal–Organic Complexes Coatings for Highly Efficient Air Filtration
Source:
(:unav)
Molecular properties and electronic structure of phenazine ligand in binuclear molybdenum and manganese metal complexes: A density functional theory study
Source:
Elsevier BV
Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure
Source:
Elsevier BV
A magnificent enzyme superfamily: carbonic anhydrases, their purification and characterization
Source:
Informa UK Limited
SIR2004: an improved tool for crystal structure determination and refinement
Source:
International Union of Crystallography (IUCr)
Synthesis, characterization and in vitro inhibition of metal complexes of pyrazole based sulfonamide on human erythrocyte carbonic anhydrase isozymes I and II
Source:
Taylor & Francis
Erratum: Density-functional approximation for the correlation energy of the inhomogeneous electron gas [Phys. Rev. B 33, 8822 (1986)]
Source:
American Physical Society (APS)
Carbonic Anhydrases and Metabolism
Source:
MDPI AG
Coordination diversity of the phenazine ligand in binuclear transition metal sandwich complexes: Theoretical investigation
Source:
Elsevier BV
Numerical integration for polyatomic systems
Source:
Elsevier BV
The determination of molecular structures by density functional theory. The evaluation of analytical energy gradients by numerical integration
Source:
AIP Publishing
Structural characterization of a new cobalt(II) complex of 1-benzyl-5-methyl-1H-imidazole
Source:
Pleiades Publishing Ltd
Assembly of two supramolecular structures by metal complexes with a urea-based pyridyl ligand
Source:
Elsevier BV
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
Source:
Canadian Science Publishing
Imidazole Alkaloids and Their Zinc Complexes from the Calcareous Marine Sponge Leucetta chagosensis.
Source:
(:unav)
WinGX and ORTEP for Windows: an update
Source:
International Union of Crystallography (IUCr)
Methanethiol Binding Strengths and Deprotonation Energies in Zn(II)-Imidazole Complexes from M05-2X and MP2 Theories: Coordination Number and Geometry Influences Relevant to Zinc Enzymes.
Source:
American Chemical Society (ACS)
Application of density functional theory to infrared absorption intensity calculations on main group molecules
Source:
AIP Publishing
Linking provided by
