Kyoowon Baekdagger; Author
Subjects of specialization
Affiliation
Pharmacology, Pharmaceutical Sciences, Medicinal Chemistry, Drag reduction, Drug Therapy
Sirius Analytical, RN 602-2nd, Daeun Plaza, 818-5, Yangchungri, Ochangup, Cheongwonkun, CHungbuk, Korea.
Kyoowon Baekdagger; Sirius Analytical, RN 602-2nd, Daeun Plaza, 818-5, Yangchungri, Ochangup, Cheongwonkun, CHungbuk, Korea. One of his references is, "Francesca M, Loriano S, Gianluca S, Gabriele C (2007) New and original pKa prediction method using grid molecular interaction fields. J Chem Inf Model 47: 2172-2181."
Research Article Open Access
Author(s): Kyoowon Baek†, Su Bin Jeon†, Bo Kyung Kim and Nam Sook Kang*
We performed this study to understand the physicochemical properties of drug-like molecules such as pKa and logS0 (logS) values. The first purpose is to compare pKa and logS0 values obtained using a prediction tool and experimental results. The second purpose is to identify the temperature effect of pKa and logS0 for ionizable drugs at 25ºC and 37ºC. PKa and logS0 of ordinary base compounds were significantly changed by increasing the temperature, but acid and amphoteric compounds were not. The third purpose is to validate the shake-flask method using different buffers and stirring and sedimentation times compared with potentiometric experiments. The equilibrium solubility from the shake-flask method had an excellent consistency with the potentiome... view moreĀ»