LIPOPHILICITY, AQUEOUS SOLUBILITY, AND DEGREE OF IONIZATION OF ATRACTYLODIN AND β-EUDESMOL, THE BIOACTIVE COMPOUNDS ISOLATED FROM ATRACTYLODES LANCEA

Objective: The study aimed to evaluate the critical physicochemical properties (lipophilicity, aqueous solubility, and degree of ionization) atractylodin β-eudesmol using in vitro testing.
 Methods: Lipophilicity (Log P Log D) was determined shake-flask method (n-octanol/water partition). Aqueous solubility kinetic assay media with pH ranging from 1.2 7.4. ionization (pKa) potentiometric titration method.
 Results: D values 3.0-5.0 suggested moderate lipophilicity both compounds. Both exhibited low over investigated range (0.08-0.93 1.97-32.48 μg/ml for β-eudesmol, respectively). Based on pKa 9.63 (atractylodin) 9.12 (b-eudesmol), are classified as basidic compounds.
 Conclusion: Atractylodin BCS class II drugs. parameters compounds obtained current will be further applied silico prediction their ADME (absorption, distribution, metabolism, excretion) properties. In addition, PBPK modeling used optimal dose regimens capsule formulation standardized extract Atractylodes lancea first-in-human (FIH) phase studies patients cholangiocarcinoma.