Hettich ROTOFIX 32 Benchtop Centrifuge Used in Molecular Lipophilicity Evaluation in Drug Design Study
The Hettich ROTOFIX 32 benchtop centrifuge was employed in the study “Experimental and Calculation Procedures for Molecular Lipophilicity: A Comparative Study for 3,3’-(2-Methoxybenzylidene)bis(4-hydroxycoumarin).” The aim of the study was to “determinate the lipophilicity of MBbisHC and to correlate it with the log P values estimated by six alternative theoretical methods.”
The study explains that lipophilicity (logarithm of n-octanol/water partition coefficient – log P) is commonly applied to drug design and therefore a quick quantification procedure for molecular lipophilicity is desired. For the testing, “the log P value for 3,3’-(2-Methoxybenzylidene)bis(4-hy-droxycoumarin) (MBbisHC) was experimentally determined (>>shake-flask<< method) and calculated using six computer programs.”
First, the particle coefficient of the target compound was determined and then further processed to produce a stock solution for more testing. All solutions were put into glass vials and shaken simultaneously on a mechanical shaker. These vialed phases were then centrifuged using the Hettich ROTOFIX 32 for 20 minutes at 2,500 rpm to ensure the absolute phase separation and n-octanol phase eradication. After analysis of spectrophotometrically obtained data, lipophilicity was calculated with six different computer programs, including the HyperChem 7.0, XLOGP, KowWin (LogKow), CLOGP, ALOGPS 2.1, and the IA logP.
The HyperChem 7.0 program stood out among the six platforms used to correlate experimental and calculated log P values, as it resulted in a close-to-perfect agreement between the experimentally observed and calculated log P values, though not statistically sufficient. The researchers of the study further aim to investigate the anti-HIV activity MBbisHC and the high lipophilicity of the analyzed compound.
Hettich’s comprehensive line of centrifuges enables scientists to conduct important testing and research, such as this study on lipophilicity quantification. The Hettich ROTOFIX 32 is a robust and versatile benchtop centrifuge ideal for many clinical and research applications.
Learn more about the Hettich ROTOFIX 32 benchtop centrifuge at: www.hettweb.com/hettich-rotofix-32a-centrifuge.html today.