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31.
TM Penning JE Pawlowski BP Schlegel JM Jez HK Lin SS Hoog MJ Bennett M Lewis 《Canadian Metallurgical Quarterly》1997,62(5):455-456
32.
PR Jefferies TA Blumenkopf PJ Gengo LC Cole JE Casida 《Canadian Metallurgical Quarterly》1996,39(12):2331-2338
Ryanodine (1) and dehydroryanodine (2) have a polar face formed by cis-hydroxyls at C-2, C-4, C-6, and C-12. The importance of the hydroxyls to the action of 1 and 2 at the ryanodine receptor (ryr) of calcium release channels is examined at [3H]-1 binding sites in brain and skeletal muscle and in heart membranes relative to cardiac contractility, a pharmacologic response which appears to be mediated by the ryr. Five types of changes are considered: blocking the 4- and 6-hydroxyls as cyclic borates and boronates; blocking the 10- and 12-hydroxyls as cyclic phosphates, phosphonates, and phosphoramidates; methylation at nitrogen or hydroxyls at C-4 and C-10; dehydration of the C-2 hydroxyl; additional data for a 4,12-oxygen-bridged series. The first change has little effect on potency possibly due to the lability of the boron protective groups whereas the cyclic phosphorus compounds have reduced activity. Methylation reduces potency the least at nitrogen and the C-4 hydroxyl. Dehydration of 1 to 2-deoxy-2(13)-dehydro-1 allows the restoration of oxygen at C-2 by conversion to epoxides or a diol. One of the epoxides and 2-deoxy-2(13)-dehydro-2 retain 8-31% of ryanodine's potency in the ryr assays and 81% in the cardiac contractility system. In the 4,12-oxygen-bridged series, high potency at the receptor and cardiac muscle is retained in the 4-hydroxy ketal. 相似文献
33.
JE Driscoll CL Seachord JA Lupisella RP Darveau PR Reczek 《Canadian Metallurgical Quarterly》1996,271(38):22969-22975
34.
B Marchou N Picot P Chavanet JC Auvergnat M Armengaud P Devilliers JE Cerisier FN Marié JL Excler 《Canadian Metallurgical Quarterly》1993,11(14):1383-1385
To determine whether a 3-week hepatitis B (HB) vaccination could achieve protective immunity, 89 healthy non-immunized young adults received three doses of 20 micrograms each of HBs antigen (GenHevac B, Pasteur) and were randomly assigned to schedule A (n = 44): two doses at day 0, one dose at day 21; or schedule B (n = 45): one dose at days 0, 10 and 21. Seroprotection rates (anti-HBs > or = 10 mIU ml-1) for groups A and B respectively were: 23 and 40% at day 21; and 77 and 91% at day 82 (not significant). Anti-HBs geometric mean titres were higher in group B than in group A (p < 0.05) at days 21 (6.4 versus 3.8) and 82 (77.6 versus 33.5). One year after primary vaccination, the seroprotection rate remained as high as 90% in the vaccinees of group B; after boosting all vaccinees had protective levels of anti-HBs antibodies. Thus 3-week HB vaccination with GenHevac B allowed early and durable protective immunity. 相似文献
35.
O,O,S-Trimethyl phosphorodithioate and phosphorothiolate [(MeO)2P(S)SMe and (MeO)2P-(O)SMe, respectively are known from earlier studies to be impurities, delayed toxicants, and detoxication inhibitors in several major O,O-dimethyl phosphorodithioate insecticides. Our recent studies show extensive S-methylation of mono- and dithiocarbamic acids in mice, suggesting the possibility that phosphorodithioic acids such as (MeO)2P(S)SH might also undergo S-methylation. This possibility was examined in ip-treated mice with emphasis on the metabolites of dimethoate [(MeO)2P(S)SCH2C(O)NHMe], one of the most important organophosphorus insecticides. The urinary metabolites of dimethoate, which contains no P-SMe substituent, were found to include four compounds with P-SMe moieties identified by 31P NMR spectroscopy as MeO(HS)P(O)SMe, MeO(HO)P(O)SMe, (MeO)2P(S)SMe, and (MeO)2P-(O)SMe; the latter two compounds are also established by GC-MS as dimethoate metabolites in mouse urine, liver, kidney, and lung. Several approaches verified unequivocally that the previously unknown P-SMe metabolites in urine and tissues are due to in vivo S-methylation rather than to impurities. Studies with other O,O-dimethyl and O,O-diethyl phosphorodithioate insecticides established the analogous S-methylation pathway for ethion, malathion, phenthoate, phosalone, and phosmet in mice. Thus, metabolism of O,O-dialkyl phosphorodithioate insecticides in mammals is shown here for the first time to yield S-methyl phosphorodithioates and phosphorothiolates from in vivo S-methylation of the intermediate O,O-dialkyl phosphorodithioic acids. 相似文献
36.
37.
GS Jayatilake MP Thornton AC Leonard JE Grimwade BJ Baker 《Canadian Metallurgical Quarterly》1996,59(3):293-296
In an ongoing survey of the bioactive potential of microorganisms associated with marine invertebrates, the culture media of a sponge-associated bacterial strain of Pseudomonas aeruginosa was found to contain metabolites which inhibit the growth of several Gram-positive microorganisms. A series of diketopiperazines (1-6) including a new natural product (6) and two known phenazine alkaloid antibiotics (7 and 8) were isolated from the culture broth of this bacterium. 相似文献
38.
39.
40.
Molecular dynamics simulations of the docking of substituted N5- deazapterins to dihydrofolate reductase 总被引：2，自引：0，他引：2
Orientations of the deazapterin ring and the conformational preferences of
groups appended to the deazapterin ring in a set of 8-substituted
deazapterin cations docked into the dihydrofolate reductase (DHFR) binding
site have been investigated using a methodology based on the simulated
annealing technique within molecular dynamics (MD) simulations. Of five
possible binding pockets for the 8-substituents, identified from a
preliminary manual docking study, one has been definitively eliminated
after an analysis of MD trajectories, while another remains uncertain.
Using a new method based on standard thermodynamic cycles and a linear
approximation of polar and non-polar free energy contributions from MD
averages, binding affinities of the different ligands in each binding site
have been correlated with experimental dissociation constants. The study
has provided insights into structure-activity relationships for use in the
design of modified inhibitors of DHFR.
相似文献