MOLECULAR DOCKING ANALYSIS OF SELECTED CELOSIA ARGENTEA CONSTITUENTS AS HUMAN TRANSFFERINMODULATOR

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B.V. Febiyola Justin, H.Simran, Dr.N.Radhakrishnan

Abstract

The phytoconstituents of Celosia argentea  has been reported to posses various biological properties. This promoted us to carry out the docking study on the 20 ligands namely CelogentineE,CelogentinH,Palmitoleic acid, Octadecanoic acid Luteolin70glucoside,CelosinF,Linoleicacid,CelosinG,Hexadecanoic acid,celosinE,CelogentinK,CelogentinJ,CelogentinG,CelogentinC,CelogentinB,CelogentinF,Arachidonic acid,CelogentinD,CelogenamideA and Arachidic acid of the plant celosia argentea with the serum protein.These ligands were evaluated on the docking behavior of human transfferin protein (1A8F) using patch Dock online software.Docking and binding free energy analysis revealed that the ligand CelogentinD exhibited maximum binding energy towards human transfferin protein.The present study has paved a new insight in understanding the constituents of celosia argentea as potential iron contentor and can be used in therapeutics for iron deficiency anaemia.The leaves of the plants were dried for about a month without sunlight.A sample of single dried leaf from each plant was given to analyse the peaks of absorbance by Fourier transform Infrared Spectroscopy (FTIR) to denote the presence of metals.

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