Probing key coordination interactions: configurationally restricted metal activated CXCR4 antagonists.

Probing key coordination interactions: configurationally restricted metal activated CXCR4 antagonists. Research Abstract Details 

Research Abstract Table of Contents

Jump to the:

Probing key coordination interactions: configurationally restricted metal activated CXCR4 antagonists. Abstract Text:

Graeme McRobbie,Gina C Valks,Christopher J Empson,Abid Khan,Jon D Silversides,Christophe Pannecouque,Erik De Clercq,Steven G Fiddy,Adam J Bridgeman,Nigel A Young,Stephen J Archibald,Graeme McRobbie,Gina C Valks,Christopher J Empson,Abid Khan,Jon D Silversides,Christophe Pannecouque,Erik De Clercq,Steven G Fiddy,Adam J Bridgeman,Nigel A Young,Stephen J Archibald,

The syntheses of configurationally restricted mono- and bis-macrocyclic copper(II) perchlorate complexes (copper(II) 5-benzyl-1,5,8,12-tetraazabicyclo[10.2.2]hexadecane and dicopper(II) 5,5'-[1,4-phenylenebis(methylene)]-bis(1,5,8,12-tetraazabicyclo[10.2.2]hexadecane)) are reported and the X-ray structure of the copper(II) mono-macrocyclic complex has been determined. EXAFS studies on the bis-macrocyclic species in aqueous solution show that the copper coordination spheres are essentially identical to the solid state structure, and do not vary in the presence of 20 equivalents of sodium acetate per metal centre. DFT calculations were carried out at the BP86/TZP level to determine the nature of potential binding interactions with CXCR4 aspartate residues. The alkylated single macrocyclic compound was modelled with an acetate included to represent the aspartate residue, demonstrating that the predicted macrocycle configuration has the lowest energy and the acetate interaction is effectively monodentate giving a distorted trigonal bipyramidal geometry at the copper centre. In vitro anti-HIV infection assays show that the configurationally restricted dicopper(II) complex is more active (average EC(50) = 0.026 microM against HIV-1) than the non-constrained dicopper(II) 1,1'-[1,4-phenylenebis(methylene)]-bis(1,4,8,11-tetraazacyclotetradecane) (average EC(50) = 0.047 microM against HIV-1) although it is an order of magnitude less active than the configurationally restricted dizinc(II) complex.

Probing key coordination interactions: configurationally restricted metal activated CXCR4 antagonists. Publishing Authors By Initials

G McRobbie,GC Valks,CJ Empson,A Khan,JD Silversides,C Pannecouque,E De Clercq,SG Fiddy,AJ Bridgeman,NA Young,SJ Archibald,G McRobbie,GC Valks,CJ Empson,A Khan,JD Silversides,C Pannecouque,E De Clercq,SG Fiddy,AJ Bridgeman,NA Young,SJ Archibald,

For similar abstracts research abstracts see: abstracts research

PUBMED ID PMID:

MEDLINE DATE:

Probing key coordination interactions: configurationally restricted metal activated CXCR4 antagonists. Journal Published:

PUBLICATION TYPE: Research Support, Non-U.S. Gov

Journal: Dalton transactions (Cambridge, England : 2003)

VOLUME:

Page Numbers: 5008-18

Journal Abbreviation:

ISSN: 1477-9226

DAY: 2

MONTH: 10

YEAR: 2007

Probing key coordination interactions: configurationally restricted metal activated CXCR4 antagonists. Information

Number of References:

LANGUAGE: eng

NlmUniqueID: 101176026

Probing key coordination interactions: configurationally restricted metal activated CXCR4 antagonists. Keywords Mesh Terms:

KEYWORDS:

MESH TERMS:

Chemical & Substance for Abstract: Probing key coordination interactions: configurationally restricted metal activated CXCR4 antagonists. Information

Substance Name:

Registry Number:

Grant and Affiliation Information for Probing key coordination interactions: configurationally restricted metal activated CXCR4 antagonists.

AFFILIATION: Department of Chemistry, The University of Hull, Cottingham Road, Hull, UK HU6 7RX.

Country: England

AGENCY: United Kingdom Wellcome T

GRANT: 069719

ACRONYM:

MEDLINETA: Dalton Trans

REFSOURCE:

DATABASENAME:

ACCESSION NUMBER:

Number Hits: 0

Probing key coordination interactions: configurationally restricted metal activated CXCR4 antagonists Related Publications

• A retrospective study of return to work following surgery.
• Alcoholism--a public health problem.
• Challenges for management of the diabetic foot in Africa: doing more with less.
• Clinical research in head and neck reconstruction.
• Complete Sequence and Analysis of the Mitochondrial Genome of Hemiselmis andersenii CCMP644 (Cryptophyceae).
• Epidermolysis bullosa dystorphica and systemic lupus erythematosus.
• Evolutionary dynamics of light-independent protochlorophyllide oxidoreductase genes in the secondary plastids of cryptophyte algae.
• Field trials of new antimalarials in West Africa.
• HIV Testing among Canadian Tuberculosis Cases from 1997 to 1998.
• HIV/AIDS--the new "great teacher".
• Influence of maternal malaria on newborn infants.
• International convention on psychotropic drugs.
• Lateral transfer of introns in the cryptophyte plastid genome.
• Leg bracing in hemiplegia.
• Lepromatous leprosy presenting with swelling of the legs.
• Modelling the evolution of drug resistance in the presence of antiviral drugs.
• Novel nucleomorph genome architecture in the cryptomonad genus hemiselmis.
• Nucleomorph genome of Hemiselmis andersenii reveals complete intron loss and compaction as a driver of protein structure and function.
• Organelle Evolution: What's in a Name?
• Perforation of the nasal septum due to soda ash.
• Probing key coordination interactions: configurationally restricted metal activated CXCR4 antagonists.
• ROBERT GEORGE ARCHIBALD.
• Small molecule CXCR4 chemokine receptor antagonists: developing drug candidates.
• Some comments on nutrition education.
• Structural analysis and haplotype diversity in swine LEP and MC4R genes.
• THE CARBON DIOXIDE RESPONSE CURVE OF THE DOG AT SEA LEVEL AND AT ALTITUDE. AMRL-TR-64-145.
• The Technologizing of EH&S.
• The eukaryotic tree of life: endosymbiosis takes its TOL.
• Why I became an occupational physician ...
• Working memory and learning in children with developmental coordination disorder and specific language impairment.