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  • peripheral benzodiazepine receptor  (1)
  • quantum mechanical calculations  (1)
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  • 1
    Electronic Resource
    Electronic Resource
    A search for quantum mechanical methods suitable for the conformational analysis of models related to some inverse agonists of the benzodiazepine receptor (1994)
    Springer
    Molecular engineering 3 (1994), S. 365-376 
    Details
    ISSN: 1572-8951
    Keywords: Benzodiazepine receptor ligands ; conformational analysis ; quantum mechanical calculations
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The target of this work consists in a search, among several methods of quantum mechanical calculations, for the most suitable one (both with regard to accuracy and speed) for doing conformational analysis on models related to molecules belonging to a group of indol-3-yl glyoxylyl derivatives, many of which behave as ligands of the benzodiazepine receptor (BzR). Among the wide variety of ligands of the BzR, β-carboline derivatives are included, many of which show a pharmacological profile similar to the one exhibited by compounds of interest to us. A structure analogy between our compounds and β-carboline derivatives could be hypothesized, depending upon the preferred arrangement of the investigated molecules with respect to the dihedral angles of the indol glyoxylyl moiety. Therefore a potential energy surface scan has been carried out on selected models either by the quantum mechanical semiempirical methods MNDO, AM1, PM3 (by using the programs included in themopac package) or by a quantum mechanical SCFab initio method (by using thegaussian-80 program), both in order to find support for the choice of the more suitable semiempirical method, and in order to verify a structural analogy between our compounds and the β-carboline ring. The results showed that AM1 and PM3, unlike MNDO, seem to be suitable semiempirical methods for doing potential energy surface scans on this kind of molecule. The preferred arrangement showed by the models with respect to the indol glyoxylyl moiety appeared to support the hypothesis about the structure analogy between the investigated ligands and β-carboline derivatives.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01003760
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  • 2
    Electronic Resource
    Electronic Resource
    Peripheral benzodiazepine receptors in isolated human pancreatic islets (1997)
    New York, N.Y. : Wiley-Blackwell
    Journal of Cellular Biochemistry 64 (1997), S. 273-277 
    Details
    ISSN: 0730-2312
    Keywords: peripheral benzodiazepine receptor ; [3H]PK-11195 ; human islets ; insulin release ; Ro 5-4864 ; Life and Medical Sciences ; Cell & Developmental Biology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Peripheral benzodiazepine receptors have been shown in some endocrine tissues, namely the testis, the adrenal gland, and the pituitary gland. In this work we evaluated whether peripheral benzodiazepine receptors can be found in the purified human pancreatic islets and whether they may have a role in insulin release. Binding of the isoquinoline compound [3H]1-(2-chlorophenyl-N-methyl-1-methyl-propyl)-3-isoquinolinecarboxamide ([3H]PK-11195), a specific ligand of peripheral benzodiazepine receptors, to cellular membranes was saturable, and Scatchard's analysis of the saturation curve demonstrated the presence of a single population of binding sites, with an affinity constant value of 9.20 ± 0.80 nM and a maximum number of binding sites value of 8913 ± 750 fmol/mg of proteins. PK-11195 and 7-chloro-1,3-dihydro-1-methyl-5-(p-chlorophenyl)-2H-1,4-benzodiazepin-2-on (Ro 5-4864) significantly potentiated insulin secretion from freshly isolated human islets at 3.3 mM glucose. These results show the presence of peripheral benzodiazepine receptors in purified human pancreatic islets and suggest their role in the mechanisms of insulin release. J. Cell. Biochem. 64:273-277. © 1997 Wiley-Liss, Inc.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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