IJFANS International Journal of Food and Nutritional Sciences

ISSN PRINT 2319 1775 Online 2320-7876

IDENTIFICATION OF NEW ANTAGONIST AGAINST LUNG CANCER THORUGH MOLECULAR DOCKING AND PHARMACOPHORE MODELLING APPROACH

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Aruna Kumari Mullangi, Surekha Agraharam, Obaiah Jamakala, Kutagolla Peera

Abstract

Lung Cancer is one of the most common Cancers in the world. It is a leading cause of cancer death in men and women in the United States. Cigarette Smoking causes most lung cancer.The more cigarettes you smoke per day and the earlier you started smoking, the greater your risk of lung cancer. High levels of pollution, radiation and asbestos exposure may also increase risk HDAC2 gene product belongs to the Histone deacetylase family. Histone deacetylases act via the formation of large multiprotein complexes and are responsible for the deacetylation of lysine residues at the N-Terminal regions of core histone (H2A,H2B,H3&H4). This Protein forms transcriptional repressor complexes by associating with many different proteins, a mammalian Zinc-finger transcriptional factor.Thus,it plays an important role in transcriptional regulation,cell cycle progression and development events. Alternative splicing results in multiple transcript variants. Analysis of docking results reveals that the all predicted molecules binding well in the active site of HDAC2 (PDBID: 5IWG) all ligand active site residues, the molecule ZINC000010120338 showed strong binding energy and pharmacophore generation was performe with six features and by auto search 178 Unique compounds hits were obtained. These Zinc database compounds may act as potential anti-cancer agents to treat lung Cacer.

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