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Svein G. Dahl Peter A. Kollman Shashidhar N. Rao U. Chandra Singh 《Journal of computer-aided molecular design》1992,6(3):207-222
Summary The side-chain conformations of psychoactive phenothiazine drugs in crystals are different from those of biologically inactive ring sulfoxide metabolites. This study examines the potential energies, molecular conformations and electrostatic potentials in chlorpromazine, levomepromazine (methotrimeprazine), their sulfoxide metabolites and methoxypromazine. The purpose of the study was to examine the significance of the different crystal conformations of active and inactive phenothiazine derivatives, and to determine why phenothiazine drugs lose most of their biological activity by sulfoxidation. Quantum mechanics and molecular mechanics calculations demonstrated that conformations with the side chain folded over the ring structure had lowest potential energy in vacuo, both in the drugs and in the sulfoxide metabolites. In the sulfoxides, side chain conformations corresponding to the crystal structure of chlorpromazine sulfoxide were characterized by stronger negative electrostatic potentials around the ring system than in the parent drugs. This may weaken the electrostatic interaction of sulfoxide metabolites with negatively charged domains in dopamine receptors, and cause the sulfoxides to be virtually inactive in dopamine receptor binding and related pharmacological tests. 相似文献
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Evanescent fluorobiosensor for the detection of polyaromatic hydrocarbon based on DNA intercalation 总被引:1,自引:0,他引:1
A flow-injection analysis (FIA) system coupled with an evanescent wave (EW) Biosensor employing total internal reflection
of fluorescence radiation (TIRF) for the detection of polyaromatic hydrocarbon that intercalates into DNA is reported. A highly
fluorescent intercalator, “ethidium bromide,” has been used as the reference compound for detection. The EW Biosensor was
developed according to the procedure described earlier (1,2). Data on the analysis of Naphthalene, 3-methy cholanthrene, 7,12-dimethylbenz(a)anthracene,
1,2-benzanthracene, and some standard reference materials supplied by the National Institute of Standards and Technology are
reported. The relative ability of the polyaromatic hydrocarbon to displace ethidium bromide, based on the relative binding
ratio, is found to be on the order of 7,12-dimethylbenz[a]anthracene > 3-methylcholanthrene > 1,2-benzanthracene > napthalene. 相似文献
26.
David Kessel Kevin M. Smith R. K. Pandey F.-Y. Shiau Barbara Henderson 《Photochemistry and photobiology》1993,58(2):200-203
Abstract— Biophysical and photobiological properties of a group of bacteriochlorins were compared with efficacy of these products for photodynamic therapy of murine tumors. Predictive factors for selective photosensitization in vivo include affinity binding to lipoproteins greater than albumin, extinction coefficient at the wavelength of irradiation and tumor/skin distribution. Efficacy was correlated with circulating plasma levels of the different sensitizers but not with the photodynamic therapy response in cell culture. 相似文献
27.
Chandra S Kumar R 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2005,61(3):437-446
A new series of copper(II) complexes have been synthesized with macrocyclic ligands having three different donating atoms in the macrocyclic ring. It has been shown that the stereochemistry of complexes is dependent on the coordinated anions. These complexes are characterized by various physicochemical techniques, viz. elemental analysis, molar conductance, magnetic susceptibility measurements, IR, electronic, 1H NMR and EPR spectral studies. Cyclic voltammetric behavior of the complexes has also been discussed. The observed anisotropic g-values indicate that the chloro and acetato complexes are six-coordinate tetragonal. Whereas the sulfato and nitrato complexes are found to have five-coordinate square-pyramidal and four-coordinate square-planar geometry, respectively. 相似文献
28.
Takaaki Tsuchida Gang Zheng Ravindra K. Pandey William R. Potter David A. Bellnier Barbara W. Henderson Harubumi Kato Thomas J. Dougherty 《Photochemistry and photobiology》1997,66(2):224-228
Human serum albumin (HSA) is one of the key components in human blood that may influence drug distribution. As such, it is important to know the affinity of any drug for albumin. Previously, Photofrina mixture of monomeric, dimeric and oligomeric porphyrins, has been subjected to HSA binding studies. However, due to its complex nature, binding studies on Photofrin or other hematoporphyrin derivatives with HSA are inconclusive. In this report, the binding properties of some components (dimers and trimers) of Photofrin® and the relationship between murine photosensitizing efficacy and those binding properties were investigated. The interaction of these porphyrins with HSA was investigated by direct ultrafiltration and fluorescent titration techniques with fluorescent probes such as dansyl-L-proline (DP), which is known to interact selectively with site II on HSA. Porphyrins also were tested for antitumor activity in a mouse model following intravenous administration and exposure to laser light. Together, the results suggest that the photosensitizers that were preferentially bound to site II of HSA were most effective at controlling murine tumor regrowth 相似文献
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Chandra Raju 《Czechoslovak Journal of Physics》1986,36(12):1350-1357
In this paper, we show that 2m
e
m
/(m
e
2
+m
2
= (g
V/g
A)
e
2
. From this expression, the Weinberg mixing parameter is shown to be 0·2254 or 0·2746. Assuming that the electron and muon neutrino masses are degenerate, we find thatm
v = (g
V/g
A)
e
2
. (m
e
m
)/M
WL, where MWL is the mass of the standard W± boson. The neutrino mass turns out to be 6·5 eV. The -neutrino mass is found to be about 81 MeV. The masses of c, t, s and b quarks are found to be respectively 1·7 GeV, 21·2 GeV, 0·57 GeV and 2·18 GeV by assumingm
d=m
u= 0·3 GeV. All these masses agree with other estimates except the b quark which has about half of its expected value. 相似文献