Screening of iridoids and seco-iridoids in gentianaceae family against liver corrective targets using molecular docking studies

In this study we confirmed the hepatoprotective properties of the phytoconstituents Swertiamarin, Sweroside, Amarogentin, Gentiopicroside present in Gentianaceae family mainly the Iridoids and Seco-iridoids using molecular docking. This technique is used 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 the screened four phytoconstituents Sweroside exhibited best affinity against IJBQ with maximum binding energy of-38.97 and Gentio Picroside exhibit-30.53 with 1O93 target. Amarogentin also showed least affinity of 69.13 with 1JEN and JBQI. Thus, the present study provided the scientific validation for hepatoprotective activity of selected Iridoids and Secoiridoids.