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Research Journal of Pharmacy and Technology
Year : 2017, Volume : 10, Issue : 11
First page : ( 3741) Last page : ( 3747)
Print ISSN : 0974-3618. Online ISSN : 0974-360X.
Article DOI : 10.5958/0974-360X.2017.00679.5

Molecular Docking Studies of Bioactive Compounds from Allium sativum Against EML4-ALK Receptor

Padmini R1,2, Sitrarasi R1, Razia M1,*

1Department of Biotechnology, Mother Teresa Women's University, Kodaikanal, Tamil Nadu

2Department of Biochemistry & Bioinformatics, Dr. MGR Janaki College of Arts and Science, Chennai, Tamil Nadu, India

*Corresponding Author E-mail: razia581@gmail.com

Online published on 26 March, 2018.

Abstract

Lung cancer is the common cancer which leads to death in all developed countries and it is a malignant lung tumor characterized by uncontrolled cell growth in the tissues of the lung. Non-Small Cell Lung Cancer (NSCLC) which is a form of lung cancer, accounts for approximately 80% of all lung cancer cases in India. EML4-ALK, a fusion protein plays a major role in provoking lung cancer. Knowledge of the three-dimensional structure paves the way to understand the mechanism of protein and conduct structure based drug design. In order to develop 3D structure of EML4-ALK protein, homology modelling approach using the tool Modeller 9v14 was utilized. Garlic (Allium sativum) is a vegetable that belongs to allium family, is capable of allowing cancer cell death normally, the process called as apoptosis. The medicinal effects of garlic can be utilized for the prevention and cure of cancer. Molecular docking studies of the modelled EML4-ALK target protein with bioactive compounds of Allium sativum using AutoDock was performed. These computational studies will provide an insight of potential inhibitors against lung cancer.

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Keywords

Lung cancer, NSCLC, EML4-ALK, Auto Dock.

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