An insilico study on anti inflammatory compounds from marine system using Molegro Virtual Docker

Author : Lisina K.V, Shanmughavel Piramanayagam

Computer aided drug discovery is an upcoming discipline that uses several bioinformatics tools to find out the 3D structure of target molecules, to manage databases of small compounds and to develop new and improved lead compounds. It is intended to assist the traditional drug discovery approaches, thereby reducing enormous amount of time and money. Molecular docking is a computational method, searching for a ligand that is able to fit both geometrically and energetically the active site of a target. Molegro Virtual Docker (MVD) is a program for determining the most likely conformation of how a ligand will bind to a macromolecule. Here target molecules identified as Phospholipase A2, Nitric oxide synthase, Cox-2, NF Kappa B, Lipooxygenase, which is over expressed in many forms of inflammatory diseases and its inhibitors found to have anti-inflammatory properties. Chemical compounds are got from marine system, which may bind to the active site of above described target proteins.

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