INVESTIGATION OF GCMS AND IN SILICO MOLECULAR DOCKING STUDY OF BROWN SEAWEED (TURBINARIA ORNATA) COLLECTED FROM GULF OF MANNAR, TAMILNADU, INDIA

Abstract

Turbinaria ornata is a species of marine brown seaweed and in the family sargassaceae. They were freshly collected from Mandapam Coastal Area, Rameswaram Tamilnadu, India and rinsed in seawater and packed in sterile bags for further proceedings to laboratory. Seaweeds are possible renewable resources in the marine environment. It has been used as antioxidant and antimutagen. Ethanol extract was prepared for further analysis. GCMS analysis of ethanol extract of Turbinaria ornata was performed using a Shimadzu 2010 plus comprising an AOC-20i auto sampler and gas chromatograph interfaced to a mass spectrometer. The GCMS analysis reveals that many bioactive compounds such as 6- octadecenoic acid, 9,12-octadecadienoic acid, Bis (2-ethylhexyl) phthalate, oleic acid presents in the extract of Turbinaria ornata. The above bioactive compounds were taken for molecular docking studies to improve the reliability, accuracy of biological test and show the possible interactions between molecules and their target receptors. So, in this present study in silico molecules docking was carried out to analyze the binding properties of 6-octadecenoic acid, 9,12-octadecadienoic acid, Bis (2-ethylhexyl) phthalate, oleic acid against standard liver cancer drug such as Doxorubicin to target protein β- catenin (1JPW). The results show the better binding interactions and suppression activity of bioactive compounds.