CORRELATION OF POLYPHENOLIC COMPOUNDS STRUCTURAL PROPERTIES WITH THEIR ANTIOXIDANT CAPACITY

In the group of polyphenolcarboxylic acids and flavonoids, over time, some molecules have been noted for their special properties. Among them we set out to analyze: caffeic acid, chlorogenic acid, apigenol, quercetol. In this paper we set out to test the antioxidant capacity of plant extracts using docking technique. The plant extracts will interact with the enzyme iNOS, a nitric oxide generator, a free radical with multiple implications in autoimmune diseases. From the values obtained from the study the most stable polyphenolic compound (high Delta E) is apigenol. The highest dipole moment value belongs to apigenol, which could anticipate stronger interaction with iNOS. The most stable iNOS-polyphnolic compound is for apigenol, having the free binding energy -6.36 kcal/mol, followed by the iNOS-quercetol complex (-4.44 kcal/mol).