Quantitative retention-activity relationship models for quinolones using biopartitioning micellar chromatography.
A simple and reproducible quantitative retention-activity relationship (QRAR) model utilizing biopartitioning micellar chromatography was developed for the biological parameter estimation of drugs. The correlation between retention factors of quinolones obtained in physiological conditions (pH, ionic strength) and biological activities was investigated using different second-order polynomial models. The predictive and interpretative ability of the chromatographic models was evaluated in terms of cross-validated data (RMSEC, RMSECV and RMSECVi). The aim was to obtain adequate QRAR models of half-life, clearance, volume of distribution, plasma protein combination rate, area under concentration-time curve and toxicity (LD50) of quinolones, and to elucidate the advantages and limitations of using a single parameter as independent variable for describing and estimating the activities.
Wu
Li-Ping
LP
West China School of Pharmacy, West China Hospital, Sichuan University, Chengdu 610041, People's Republic of China.
Chen
Yu
Y
Wang
Shu-Rong
SR
Chen
Cong
C
Ye
Li-Ming
LM
D000900:Anti-Bacterial Agents / Q000032:analysis* / Q000737:chemistry* / Q000494:pharmacology; D019540:Area Under Curve; D020374:Chromatography, Micellar Electrokinetic Capillary / Q000295:instrumentation / Q000379:methods; D006207:Half-Life; D057927:Hydrophobic and Hydrophilic Interactions; D020128:Inhibitory Concentration 50; D007928:Lethal Dose 50; D008956:Models, Chemical; D011237:Predictive Value of Tests; D021281:Quantitative Structure-Activity Relationship; D015363:Quinolones / Q000032:analysis* / Q000737:chemistry*; D013056:Spectrophotometry, Ultraviolet
D000900:Anti-Bacterial Agents; D015363:Quinolones