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1.  bis-Azaaromatic quaternary ammonium salts as ligands for the blood-brain barrier choline transporter 
A series of bis-azaaromatic quaternary ammonium compounds containing flexible polymethylenic linkers as well as conformationally restricted linkers were evaluated for their affinity for the blood-brain barrier choline transporter (BBB-ChT). The preliminary structure-activity relationships obtained from this study suggest that incorporating a linear, conformationally restricted linker into the molecule improves affinity for the BBB-ChT.
PMCID: PMC3725989  PMID: 20462759
choline transporter; blood-brain barrier; bis-quaternary ammonium salts
3.  bis-Pyridinium Cyclophanes: Novel Ligands with High Affinity for the Blood-Brain Barrier Choline Transporter 
A series of bis-pyridinium cyclophane analogs designed as conformationally-restricted bis-quaternary ammonium compounds were evaluated for their affinity for the blood-brain barrier (BBB) choline transporter. All the cyclophanes investigated exhibited high affinity compared to choline. Of these compounds, N, N’-(1, 10-decanediyl)3, 3’-(1, 9-decadiyn-1, 10-diyl)-bis-pyridinium diiodide (5c) and N, N’-(1, 9-nonanediyl)3, 3’-(1, 9-decadiyn-1, 10-diyl)-bis-pyridinium dibromide (5b) exhibited highest affinity with Ki values of 0.8 µM and 1.4 µM, respectively, and constitute some of the most potent BBB choline transporter ligands reported.
PMCID: PMC3437650  PMID: 18793853
Blood-brain barrier choline transporter; Quaternary ammonium; Nicotinic acetylcholine receptor
5.  Predictors of Academic Success in a Doctor of Pharmacy Program 
To evaluate the correlation between specific prepharmacy college variables and academic success in the Texas Tech doctor of pharmacy degree program.
Undergraduate and pharmacy school transcripts for 424 students admitted to the Texas Tech doctor of pharmacy degree program between May 1996 and May 2001 were reviewed in August of 2005. Statistical analyses were performed using SPSS Release 11.5. The undergraduate college variables included prepharmacy grade point-average (GPA), organic chemistry school type (2- or 4-year institution), chemistry, biology, and math courses beyond required prerequisites, and attainment of a bachelor of science (BS), bachelor of arts (BA), or master of science (MS) degree. Measurements of academic success in pharmacy school included cumulative first-professional year (P1) GPA, cumulative GPA (grade point average of all coursework finished to date), and graduation without academic delay or suspension.
Completing advanced biology courses and obtaining a BS degree prior to pharmacy school were each significantly correlated with a higher mean P1 GPA. Furthermore, the mean cumulative GPA of students with a BS degree was 86.4 versus cumulative GPAs of those without a BS degree which were 84.9, respectively (p = 0.039). Matriculates with advanced prerequisite biology coursework or a BS degree prior to pharmacy school were significantly more likely to graduate from the doctor of pharmacy program without academic delay or suspension (p = 0.021 and p = 0.027, respectively). Furthermore, advanced biology coursework was significantly and independently associated with graduating on time (p = 0.044).
Advanced biology coursework and a science baccalaureate degree were significantly associated with academic success in pharmacy school. On multivariate analysis, only advanced biology coursework remained a significant predictor of success.
PMCID: PMC1637008  PMID: 17149435
academic success; pharmacy students; grade point average; graduation; prerequisites; performance
6.  Predictive Screening Model for Potential Vector-Mediated Transport of Cationic Substrates at the Blood-Brain Barrier Choline Transporter 
A set of semi-rigid cyclic and acyclic bis-quaternary ammonium analogs, which were part of a drug discovery program aimed at identifying antagonists at neuronal nicotinic acetylcholine receptors, were investigated to determine structural requirements for affinity at the blood-brain barrier choline transporter (BBB CHT). This transporter may have utility as a drug delivery vector for cationic molecules to access the central nervous system. In the current study, a virtual screening model was developed to aid in rational drug design/ADME of cationic nicotinic antagonists as BBB CHT ligands. Four 3D-QSAR comparative molecular field analysis (CoMFA) models were built which could predict the BBB CHT affinity for a test set with an r2 < 0.5 and cross-validated q2 of 0.60, suggesting good predictive capability for these models. These models will allow the rapid in silico screening of binding affinity at the BBB CHT of both known nicotinic receptor antagonists and virtual compound libraries with the goal of informing the design of brain bioavailable quaternary ammonium analogs that are high affinity selective nicotinic receptor antagonists.
PMCID: PMC2818856  PMID: 20053562
Drug screening; Drug bioavailability; Carrier-mediated transport; Smoking cessation; Nicotinic receptor antagonists; Quaternary ammonium analogs

Results 1-8 (8)