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  1. No Access

    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...

    Mark Froimowitz, Kuo-Ming Wu, Jason Rodrigo… in Journal of Computer-Aided Molecular Design (2000)

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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...

    Mark Froimowitz, Kuo-Ming Wu, Clifford George, Don VanDerveer… in Structural Chemistry (1998)

  3. No Access

    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...

    Vivian Cody, Naiyin Li, Atmaram D. Khanolkar… in Journal of Chemical Crystallography (1996)

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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 ...

    Mark Froimowitz, Emile M. Bellott, Jr. in Molecular modeling annual (1995)

  5. No Access

    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...

    Vivian Cody, Mark Froimowitz in Journal of Crystallographic and Spectroscopic Research (1990)

  6. No Access

    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 ...

    Ubaldo Leli, Mark Froimowitz, George Hauser in Molecular Mechanisms of Neuronal Responsiv… (1987)