Virtual Screening and Protein Ligand Based Molecular Docking Studies for the Major Protein EGFR in Non Small Cell Lung Cancer (NSCLC)

Abstract

Introduction: NSCLC is the biggest problem for the world, up to 70% patient are incurable in the world. EGFR (Epidermal Growth factor receptor) is main protein which is response in signaling pathway, Mutation conformation give the alteration in lung cancer patient. Many of data give the approx. figure of cases of male, female and both sexes in the world. According to data we get the median age when person is infected by NSCLC, that median age is 70. EGFR is receptor protein, it’s a protein where intercellular and extracellular domain in this protein inhibitor bind on the extracellular domain and that’s inhibit the signaling pathways like PI3K and RAS pathways. Ligand, act as an inhibitor which bind with protein and inhibit the signaling pathways which are responsible to cause apoptosis. Methodology: Bioinformatics tools used for the research work, there many research tools used like Auto dock vina, Pymol, Discovery studio visualizer, and some online tools like NCBI, PDB, PUBCHEM and some more. First, we collect data and screening first protein is on the bases of resolution and ligand screening then start docking by using Autodock vina and docking by two ways: one is single molecule (ligand) docking and second is multi-ligand docking. Multi ligand used Perl programing, after docking analyses the result of docking which give the information where ligand bind with protein and give amino acid residue information which amino acid at which position.