H. J. R. Weintraub

Publications (2)2.71 Total impact

• Article: Conformational energy calculations of some amphetamine analogs using a new solvation model

  H. J. R. Weintraub, D. E. Nichols
  [show abstract] [hide abstract]
  ABSTRACT: A new model is proposed for the calculation of the solvation effect for hydrogen-bonded ionic species. The model is applied to a group of phenethylamine and amphetamine derivatives possessing a cationic ammonium group. This N+H3 moiety is common among many compounds of biological interest. A detailed description of the solvation model is presented. The conformational properties of the amphetamine derivatives 2,5-dimethoxy-4-methyl-amphetamine (DOM), “ethyl DOM,” and “cyclopropyl DOM” are discussed and an “active conformer” is proposed. The CAMSEQ software system was employed in this study.
  International Journal of Quantum Chemistry 06/2009; 14(S5):321 - 343. · 1.36 Impact Factor
• Article: Conformational energy calculations on anticonvulsant drugs

  H. J. R. Weintraub
  [show abstract] [hide abstract]
  ABSTRACT: Solvent-dependent conformational energy calculations have been completed on a number of anticonvulsant drugs using classical potential energy functions. A conformational dependence on activity has been found in a series of succinimides which relates the relative conformations of N-substituents with anticonvulsant activity.
  International Journal of Quantum Chemistry 06/2009; 12(S4):111 - 125. · 1.36 Impact Factor