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Title : DOCKING STUDIES OF SWINE FLU NEURAMINIDASE WITH HERBAL COMPOUNDS
Authors : Jayasree Ganugapati , Archana Battu, Aishwarya Aare
Abstract : Swine Flu is a seasonal viral infectious disease caused due to H1N1. The aim of the present study is to identify natural compounds found in dietary resources that can inhibit neuraminidase, a protein that plays a crucial role in the H1N1 infection and invasion into the human host tissues. The X-Ray Crystallographic structure of the protein Neuraminidase was retrieved from RCSB -PDB and 3D structures of the selected ligands were obtained from NCBI PubChem in SDF format. Lipinski Rule was analyzed using Mol inspiration. Docking studies were performed using ARGUSLAB, AUTODOCK 4.0 and AUTODOCK VINA to study the interactions of the protein with the ligands. The compounds having affinity towards the protein’s active site region were identified. Docking results indicate that all the six compounds interact with neuraminidase with varied binding energies. From our observations It can be concluded that the six compounds selected for analysis bind with neuraminidase and our further studies suggest that the activity of neuraminidase can be inhibited by Curcumin and Gingerol since they have a better binding energy and interact with active site residues.

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