Molecular Docking Studies of Flavones in Gentianaceae Family against Liver Corrective Targets

In this study we confirmed the hepatoprotective properties of the phytoconstituents present in Gentianaceae family mainly the flavones using molecular docking. Molecular docking studyused to check the interaction of phytoconstituents with hepatoprotective targets such as 1JEN-Human-S-Adenosyl methionine decarboxylase, 2OOL-Human sperimidine synthase, 2PO2-Crystal structure of the alpha subunit of human-S-Adenosyl methionine Synthetase II, 1JBQ-Structure of human cystathionoine beta synthase a unique pyridoxal 5’ phosphate dependent heme protein, 2AZT-Crystal structure of H 176 N mutant of human glycine N-Methyl transferase, 2OBV-Crystal structure of the human-S-Adenosyl methionine synthase-I in complex with the product, 1093-Methionine adenosyl transferase complexed with ATP and a L-Methionine analogues. Among thescreened four phytoconstituents Genkwaninexhibited best affinity against1JEN with maximum binding energy of-167.53 andapigeninexhibit-38.04with 2OBVtarget. Genkwanin also showed least affinity of 42.47 with 2OOL. Thus, the present study provided the scientific validation for hepatoprotective activity of flavonoids present in gentianaceae family.