Robert E. Waltermire

Empirical relationship between chiral selectivity and mobile phase modifier properties

An empirical relationship was derived which relates properties of the mobile phase modifier to the chiral selectivity factor for a given analyte/chiral selector combination. Using carbon dioxide and heptane-based mobile phases, the effect of various mobile phase modifiers on Pirkle-type stationary phases may be accurately modeled using a two-parameter equation. Similar results are obtained using cellulosic stationary phases with carbon dioxide-based mobile phases. Modeling separations performed using heptane-based mobile phases with cellulosic stationary phases were not successful. The predictive ability of this modeling approach was demonstrated using novel modifiers and chiral analytes.

De Novo Design and Discovery of Cyclic HIV Protease Inhibitors Capable of Displacing the Active-Site Structural Water Molecule

Combining the Caco-2 cell assay, dog pharmacokinetic assessment on selected compounds, antiviral testing against wild-type and mutant variants, and antiviral testing in the presence of human plasma proteins, we can define the overall quality of a given compound. We can then select compounds for further preclinical evaluation.