LC-MS, NMR analysis, molecular docking and simulation studies of phytoestrogen from L. pods against PPAR-α protein.

The present investigation is subjected to comprehensive phytoestrogen analysis from pre-winter and winter seasonal pods using LC-MS and NMR. The analysis of the extracts revealed the presence of many phytoestrogens. Furthermore, molecular docking studies were employed for the investigation of the interactions between the isolated phytoestrogens and PPAR-α.

Synthesis of water-soluble novel bioactive pyridine-based azo coumarin derivative and competitive cytotoxicity, DNA binding, BSA binding study, and in silico analysis with coumarin.

The diazo coupliling reaction of 3- amino pyridine with coumarin in water medium produces water soluble 6-[3-pyridyl]azocoumarin. The synthesised compound has been fully charecterised by IR, NMR, and Mass spectroscopy. The frontier molecular orbital calculations reveal that 6-[3-pyridyl]azocoumarin is more biologically and chemically active in comparison to coumarin.