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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...

    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)

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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)