Using the MM2‐87 program and parameter set, conformational analyses have been
performed on cocaine (1), the potent analog 2β‐carbomethoxy‐3β‐(4‐fluorophenyl) tropane …

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 …

A QSAR and CoMFA study including 78 cocaine analogs has been completed. These
analogs have varied functional groups on the 2β and 3β positions of the tropane ring and …

Methylphenidate (MP) binds to the cocaine binding site on the dopamine transporter and
inhibits reuptake of dopamine, but does not appear to have the same abuse potential as …

A conformational analysis has been performed on the antidepressant bupropion using the
MM3-92 program. In addition, the structure of the compound in the crystal state was …

A conformational study of cocaine and its three diastereomers, pseudococaine, allococaine,
and allopseu‐dococaine was carried out using molecular mechanics and quantum …

Novel dopamine uptake inhibitors have proven to be useful tools for investigating the role of
the dopamine transporter in the pharmacology of cocaine. 1-10 Cocaine (1) and structurally …

To discover agents that might be useful in the treatment of cocaine abuse, we have chosen
to re-explore a class of molecules that was first reported by Clarke et al. in 1973 and that …

A conformational study of methadone and structurally related analgesics has been
performed using Allinger's Molecular Mechanics I (MM1) program. Initial calculations were …

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 …