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Article
CTDP-32476: A Promising Agonist Therapy for Treatment of Cocaine Addiction
Agonist-replacement therapies have been successfully used for treatment of opiate and nicotine addiction, but not for cocaine addiction. One of the major obstacles is the cocaine-like addictive potential of th...
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Article
Is Slow-Onset Long-Acting Monoamine Transport Blockade to Cocaine as Methadone is to Heroin? Implication for Anti-Addiction Medications
The success of methadone in treating opiate addiction has suggested that long-acting agonist therapies may be similarly useful for treating cocaine addiction. Here, we examined this hypothesis, using the slow-...
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Article
Conformational preferences of the potent dopamine reuptake blocker BTCP and its analogs and their incorporation into a pharmacophore model
Molecular mechanics calculations using MM3-92 and ab initio quantum mechanical calculations using SPARTAN 5.0 were performed on the structurally similar PCP and BTCP, in which only the latter has a cocaine-lik...
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Article
Crystal Structures of Analogs of threo-Methylphenidate
The crystal structures of the chloride salts of five analogs of threo-methylphenidate have been obtained. Four of these have different substituents on the phenyl ring while the fifth is the ethyl ester of methylp...
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Article
Crystal structure of the meta hydroxyl phenyl analog of α(+)-prodine
The meta hydroxyphenyl analog of α-prodine (1,3-dimethyl-(4-meta-hydroxy phenyl)-4-propionyloxypiperidine) free base crystallizes in the orthorhombic space group P212121. The relative configuration of the compoun...
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Article
Conformational Analysis of Methylphenidate and Its Structural Relationship to Other Dopamine Reuptake Blockers Such as CFT
Purpose. This work was performed 1) to determine the conformational preferences of the threo and erythro isomers of the dopamine reuptake blocker methylphenidate, 2) to determine the crystal conformation of the
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Article
Structural Factors that Distinguish Dopamine D1 and D2 Agonists
To determine the structural features responsible for their selectivity as dopamine D1 agonists, a conformational analysis has been performed on an analog of nomifensine, dihydrexidine, a benzergoline, and an ...
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Article
Conformational Analysis of the Opioid Phenylmorphan and Its 9α-Methyl Analogue in Solution Using High-Resolution Nuclear Magnetic Resonance Spectroscopy
The solution conformations of the opioid phenylmorphan (5-m-hydroxyphenyl-2-methylmorphan) and its 9α-methyl analogue were studied using one- and two-dimensional high resolution NMR techniques. The NMR spectra we...
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Article
Butaclamol: Absolute configuration, crystal and molecular conformation
(−)-Butaclamol HCl, C25H31ONCl, crystallizes in the monoclinic space group P21 with cell dimensionsa=12.842(2),b=7.741(1),c=11.667(2)Å andβ=106.54(2)°,z=2. Refinement of nonhydrogen atoms with anisotropic thermal...
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Chapter
Molecular Geometries and Steric Energies of Phorbol 10, 11-Diacetate and 1, 2-Diacetylglycerol Molecules
Protein kinase C, an enzyme that is stimulated physiologically by diacylglycerol (DAG) and phospholipids in the presence of Ca2+, is involved in a novel cellular signaling system that is activated by the binding ...