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Abstract

INSILICO STUDIES OF MARSILEA QUADRIFOLIA PHYTOCONSTITUENTS IN ANTI-VIRAL ACTIVITY

Nagavalli D., Nishvanth F.*, Kasturi Raja M. and Sakthidasan K.

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Abstract

Objectives: A Virus is a tiny infectious agent that produces inside the cells of living hosts. The Present Study was designed to perform the Docking studies for various phytoconstituents present in Marsilea quadrifolia against viral protein using Argus lab and Auto dock tools and comparing its binding efficiency. Materials and Methods: Collection of chemical structure of phytoconstituents present in Marsilea quadrifolia. Downloading the following softwares such as Chemsketch, Argus lab 4.0.1, Autodock tools 1.5.4, Discovery studio. Draw structures using chemsketch, Docking studies using Argus and Auto dock tools, Selection of protein and preparation Selection of ligand and preparation, Docking and Analysis. Results: The following structures are drawn by chemsketch and Phytoconstituents of, Marsilea quadrifolia Aminoacids involved in binding between protein (6LU7). The ligand protein interaction can be simply viewed by click the „ligand interactions‟ in the discovery studio file and note the amino acid which were involved in the Hydrogen bond, Electrostatic bond and Hydrophobic bond. Conclusion: As the anti-viral agents are docked against anti-viral proteins, the docking scores were obtained. From the results we can concluded that best binding energy of the compound. The number of hydrogen bonds in the compound (weak electrostatic bonds between proton and electronegative of the compound) will estimate the better binding effects.

Keywords: Virus, Anti-viral agent, Marsilea quadrifolia, Molecular docking.


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