Docking studies of the chemical components of the composition of Bupleurum aureum plant in relation to hepatoprotective biotargets

Abstract

With the purpose of searching the objective parameters of dependence of the activity of Bupleurum aureum plant on the components of its chemical composition and determining the possible mechanisms of the hepatoprotective effect the docking studies have been conducted by the method of a flexible molecular docking using the SCIGRESS software package. The results obtained allow making the assumption that the most likely mechanism of the hepatoprotective effect is inhibition of protein (code 2I9T), it may be associated with the presence of flavonoids (quercetin), alcohols (xylitol) and monoterpenoids (lolioside) in the composition of Bupleurum aureum plant.