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Abstract

MOLECULAR DOCKING OF LUNG CANCER PROTEINS AGAINST SPECIFIC DRUG TARGETS

*Bhagavathi S, Dr.Gulshan Wadhwa, Dr. Anil Prakash

ABSTRACT

The key proteins that are responsible for Lung cancer are Polo Like Kinase 1, Thrombomodulin, Trophinin and Matrix MetalloProteinase. These target proteins were modeled to predict their three dimensional structures and subjected to active site analysis tool to determine the amino acids actively involved in the binding site function. Four drug targets Vorinostat, Gemcitabine, Paclitaxel and Etoposide were docked with the target proteins to detect the binding efficacy of the drug. The score suggests Gemcitabine effective against Polo like kinase 1 and Vorinostat acts as better inhibitor against Thrombomodulin and Matrix MetalloProteinases receptor. Paclitaxel is found to inhibit Trophinin forming a stable docked structure.

Keywords: Lung cancer, Vorinostat, Gemcitabine, Paclitaxel, Etoposide, Polo Like Kinase 1, Thrombomodulin, Trophinin, Matrix Metallo Proteinase.


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