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991.
992.
The variety of results of crystallographic studies of the serine proteases complexed with isocoumarin inhibitors presents a challenging problem to modeling methods and molecular energetics. Therefore, the thermodynamic cycle-perturbation technique has been used to study a model system of elastase and two peptidic inhibitors. Using the program AMBER, the technique correctly predicts changes of the binding constants for the trifluoroacetyl dipeptide inhibitors in comparison with available experimental (kinetic and crystallographic) data. However, the absolute values obtained are shown to be sensitive to the specific electrostatic interaction potential parameters used in the simulations. The reader and user are cautioned that thermodynamic cycle-perturbation results may be too optimistic by underestimating the accuracy of free energy values. This is especially a matter of concern for those cases where a direct comparison with experimental values is not possible, viz., (1) the stimulation of binding of novel compounds, (2) structurally uncertain binding sites, or (3) structurally different binding modes. With our best 4-31G* ESP (electrostatic potential) charges we were able to reproduce experimentally determined free energy differences (delta delta A) with an accuracy of about 1.5 kcal/mol. Dynamically induced structural changes in the binding site of elastase, and particularly changes in hydrogen-bond patterns of the binding site, are also reported. 相似文献
993.
B Zisman E F Wheelock A C Allison 《Journal of immunology (Baltimore, Md. : 1950)》1971,107(1):236-243
994.
Rat-liver DNA alkylation by diethylnitrosamine (DEN), dimethylnitrosamine (DMN) and ethyl methanesulphonate (EMS) was studied in an attempt to relate chromosome-damaging effects of these agents (the formation of micronuclei in hepatocytes; see preceding paper) to specific alkylation patterns. No correlation was observed between the induction of micronuclei and liver DNA N-alkylation, measured as 3- and 7-alkyl-purines. O6-Alkylguanine is probably not involved in micronucleus induction because it is lost from DNA too rapidly to explain the much more persistent clastogenic effects. In contrast, both the initial amounts of alkylphosphotriesters and the persistencies of these products roughly paralleled the respective effects on micronucleus induction. The possible involvement of alkylphosphotriesters or other O-alkylation products of comparable stabilities is discussed. Results with DMN suggest that part of the primary DNA methylation damage is converted into a secondary (DNA) lesion and that both the primary and secondary lesion(s) contribute to the process of micronucleus formation. 相似文献
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996.
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999.
M Camacho Ochoa T A Jackson C S Aaron R A Lahti G M Strain P F Von Voigtlander 《Life sciences》1992,51(14):1135-1143
A morphometric study of kainic acid- (KA) induced lesions was designed for the study of the interaction of the diamines U-5449A and U-50488H with excitatory amino acids, and the dose-response relationship thereof. IC50S determined for binding at the kappa receptor and other opioid receptors demonstrated the lack of kappa activity of U-54494A, a structurally related analog of U-50488H. Both opiate kappa receptor related anticonvulsant diamines were tested for their ability to protect the mouse hippocampus from the cytopathological changes induced by KA in neurons and glia. The damage observed with i.c.v. KA in mouse was restricted to neurons of the CA3 pyramidal region and glia of the hippocampus. It involved massive cell loss and shrunken neurons with dark cytoplasm and nuclei. Groups treated with combinations of KA and U-54494A or U-50488H showed scarce damage, but patches of necrotic changes were still observed. Control animals treated with saline (i.c.v.) and U-54494A (s.c.) or U-50488H (s.c.) did not suffer any noticeable alterations of the polymorphic layers of the hippocampal formation. Image analysis of the CA3 area of the hippocampus was used to quantitate the vacuolization induced by KA lesions in the control and treated groups. By this method, both U-54494A and U-50488H were shown to protect this area in a dose-related fashion as evidenced by reduced vacuolization. The anticonvulsant properties of these compounds may result in the antagonism of the excitotoxic lesions. More specifically, the ability of these diamines to block depolarization-induced influxes of Ca++ may protect the CA3 cells from the cytotoxic effects of persistent depolarization. 相似文献
1000.
The Importance of Hydrodynamics for Protected and Endangered Biodiversity of Lowland Rivers 总被引:3,自引:3,他引:0
R. J. W. de Nooij W. C. E. P. Verberk H. J. R. Lenders R. S. E. W. Leuven P. H. Nienhuis 《Hydrobiologia》2006,565(1):153-162
This paper examines the relationship between protected and endangered riverine species (target species) and hydrodynamics
in river-floodplain ecosystems, combining ecological and policy-legal aspects of biodiversity conservation in river management.
The importance of different hydrodynamic conditions along a lateral gradient was quantified for various taxonomic groups.
Our results show that (i) target species require ecotopes along the entire hydrodynamic gradient; (ii) different parts of
the hydrodynamic gradient are important to different species, belonging to different taxonomic groups; (iii) in particular
low-dynamic parts are important for many species and (iv) species differ in their specificity for hydrodynamic conditions.
Many species of higher plants, fish and butterflies have a narrow range for hydrodynamics and many species of birds and mammals
use ecotopes along the entire gradient. Even when focussing only on target species, the entire natural hydrodynamic gradient
is important. This means that the riverine species assemblage as a whole can benefit from measures focussing on target species
only. River reconstruction and management should aim at re-establishing the entire hydrodynamic gradient, increasing the spatial
heterogeneity of hydrodynamic conditions. 相似文献