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Molecular docking of compounds elucidated from Ixora coccinea Linn. flowers with insulin receptors | Abstract
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Abstract

Molecular docking of compounds elucidated from Ixora coccinea Linn. flowers with insulin receptors

Author(s): Manokaran Kalaiselvi, Ramasamy Amsaveni and Veluswamy Bhuvaneshwari

The 3D structure of Insulin Receptor tyrosine kinase and the Insulin receptors 5'- adenosine monophosphate (AMP)- Activated Protein Kinase Catalytic Subunit Alpha-1 were obtained from Protein Data Bank (PDB) database. The natural compounds purified from ethanolic flower extract of Ixora coccinea Linn. were docked with Insulin receptor proteins to find out the in silico anti-diabetic activity. The structures of the metformin, quercetin, biochanin A and β – amyrin was drawn using ACD Chem Sketch and copied in to ACD 3D viewer and saved as mol file further mol file was converted to pdb by using Swiss PDB viewer. They were evaluated for the anti-diabetic activity using in silico docking study using Hex 8.0.0. software. All the 3 purified compounds showed good docking profiles with tyrosine and AMP Kinase out of which quercetin showed best when compared with the other compounds and standard drug metformin. Finally the result from the study demonstrates that the ethanolic flower extract of I. coccinea and its compounds quercetin, biochanin A and β – amyrin posses potent anti-diabetic activity against type-2 diabetes mellitus through potential activation of Insulin Receptor tyrosine kinase and AMP kinase cascade system.