Study of physicochemical and pharmacokinetic properties of flavonoids from Euterpe oleracea Martius

Aims: Neurodegenerative disorders prevalence is growing due to life expectancy increase, thus the passage signs of time are clearly visible in the brain. Oxidative stress is a factor that contributes to the organic defenses imbalance, producing free radicals, brain-aging progression and various degenerative diseases. Macromolecules oxidative damage increases with age, leading to a progressive decline in cell and tissue function. Antioxidants reduce these free radicals formation or react with them by neutralizing them. Euterpe oleracea Martius, popularly known as acai, is rich in α-tocopherol, fibers, lipids, polyphenols and mineral ions. Believes that polyphenols high content, among which flavonoids, confers to acai fruits a variety of health promoting effects, including anti-inflammatory, immunomodulatory, antinociceptive and antioxidant properties. The present study aims to analyze, in silico, flavonoids physicochemical, pharmacokinetic and toxicological properties present in Euterpe oleracea Martius. Place and Duration of Study: Pharmaceutical and Medicinal Chemistry Laboratory (PharMedChem) at Amapa Federal University (UNIFAP), Macapa, Brazil, between December 2017 and January 2018. Methodology: Initially, selected 16 molecules present in Euterpe oleracea Martius, divided into acai pulp and oil. The physicochemical properties of the flavonoids were analyzed by the rule of 5, pharmacokinetic properties in the QikProp module of the Schrodinger software and the toxicity profile using the DEREK program. Results: Among physical-chemical properties, the flavonoid compounds catechin, epicatechin, luteolin, chrisoeriol, taxifolin, apigenin, dihydrocaempferol, isovitexin and vitexin presented good oral bioavailability. In pharmacokinetic properties, the molecules catechin, epicatechin, isovitexin, luteolin, chrisoeriol, taxifolina and isorhamnetina rutinosideo presented the best results and high human oral absorption. In toxicological properties prediction the compounds presented good results, except for the isorhamnetina rutinoside and rutin compounds that presented alert about the mutagenicity for hydroxynaphthalene or derivative. Conclusion: Catechin, chrysoerythol and taxifolin flavonoids presented the best results, but other computational and experimental methods are needed to identify these compounds biological activity.