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Ionic Partition Diagram of the Zwitterionic Antihistamine Cetirizine
Reference LEPA-ARTICLE-2001-013doi:10.1002/1522-2675(20010228)84:2 3.0.CO;2-4 Record created on 2005-11-07, modified on 2017-05-12
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Furoxans as nitric oxide donors. 4-Phenyl-3-furoxancarbonitrile: thiol-mediated nitric oxide release and biological evaluation.
4-Phenyl-3-furoxancarbonitrile (2) affords nitric oxide under the action of thiol cofactors. Two principal products were isolated in the reaction with thiophenol: the phenylcyanoglyoxime (6) andExpand
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Novel Contrast Agents for Magnetic Resonance Imaging. Synthesis and Characterization of the Ligand BOPTA and Its Ln(III) Complexes (Ln = Gd, La, Lu). X-ray Structure of Disodium
The syntheses of the ligand BOPTA, (4-carboxy-5,8,1 l-tris(carboxymethyl)-l-pheny1-2-oxa-5,8,1 l-triazatridecan13-oic acid; benic acid) and its Gd(III), La(III), and Lu(1U) complexes are reported.Expand
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Lipophilicity Behaviour of the Zwitterionic Antihistamine Cetirizine in Phosphatidylcholine Liposomes/Water Systems
AbstractPurpose. The partitioning of cetirizine in a phosphatidylcholine liposomes/water system was compared with that of hydroxyzine and acrivastine to gain insight into the mechanisms ofExpand
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Ionization, lipophilicity, and molecular modeling to investigate permeability and other biological properties of amlodipine.
This paper uses a recent approach toward drug discovery, in which in silico tools and experimental data are combined together to study the structural features of amlodipine and their relevance in theExpand
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Predicting the Oxidative Metabolism of Statins: An Application of the MetaSite® Algorithm
PurposeThis study was undertaken to examine the MetaSite algorithm by comparing its predictions with experimentally characterized metabolites of statins produced by cytochromes P450Expand
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New 1,4-dihydropyridines conjugated to furoxanyl moieties, endowed with both nitric oxide-like and calcium channel antagonist vasodilator activities.
A series of 4-phenyl-1,4-dihydropyridines substituted at the ortho and meta positions of the phenyl ring with NO-donating furoxan moieties and their non-NO-releasing furazan analogues wereExpand
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Unsymmetrically substituted furoxans. Part 16 . Reaction of benzenesulfonyl substituted furoxans with ethanol and ethanethiol in basic medium
The use of benzenesulfonyl substituted furoxans as flexible intermediates for the synthesis of new functionalized furoxans interesting for their potential biological properties is discussed. ReactionExpand
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The Block Relevance (BR) analysis to aid medicinal chemists to determine and interpret lipophilicity
A major issue related to chromatographic determination of lipophilicity is the conversion to logP. The interconversion of lipophilicity indices can be made only if two systems express the sameExpand
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Docking studies on NSAID/COX-2 isozyme complexes using Contact Statistics analysis
TLDR
We use a combination of traditional docking procedure with a new computational tool (Contact Statistics analysis) that identifies the best orientation among a number of solutions to shed some light on the details of the interactions between COX isozymes and NSAIDs. Expand
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