COMPARATIVE ANALYSIS OF BIOLOGICAL ACTIVITY OF FLAVONES AND FLAVONOLS IN SILICO

Abstract The paper presents the results of a comparative analysis of the biological activity (BA) spectra of flavones (apigenin and luteolin), flavonols (quercetin and kaempferol) and their mono- and diglycosides obtained using the PASS-online web resource. The heatmap method was used to analyze the data array of probability (Pa) values for the manifestation of 27 types of BA in 14 flavonoids. Heat maps with a color gradient were created, in which the values of Pa > 0.7 corresponded to red, Pa < 0.7 - to blue, Pa = 0.7 - to white. It was found that the BA spectra of structurally related flavonoids are different. The probability of manifestation of a certain type of BA depends on the number, location of hydroxyl groups and carbohydrate residues in the molecule. The probability of manifestation of cardio-, hepato- and vasoprotective, hemostatic, antiradical, antioxidant, chemoprophylactic, capillary-strengthening activities in glycosides is higher than in aglycones. An increase in the number of hydroxyl groups in the molecule leads to more pronounced therapeutic effects. The obtained results can serve as a basis for further research in the field of development of new and improvement of the compositions of known herbal preparations.