Screening Of Alk Targeted Anti-Lung Cancer Inhibitors: An In Silico Exploration From Natural Domain

Research Article
Nand, M., Maiti, P., Chandra, S and Pande, V
DOI: 
http://dx.doi.org/10.24327/ijrsr.2018.0901.1363
Subject: 
science
KeyWords: 
Lung cancer, ALK, Natural Inhibitors and In silico Screening.
Abstract: 

The anaplastic lymphoma kinase (ALK) is a receptor tyrosine kinase that is unusually found in a various type of sarcomas. Almost 3-7% of lung tumor is contributed by ALK fusions library of therefore, is a good target for anticancer drug development. In this pursuit, we virtually screened four hundred chemically diverse bioactive natural products to get the best hits having an ALK binding affinity. Initially, all molecules were screened for their anti-cancer efficacy and druglikeness. The docking scores and protein-ligand interactions of the obtained hits were emulated with the clinically exploited selective ALK antagonists. The results revealed seven potential hits against ALK. Additionally, all the hits were evaluated for their ADMET properties, cell-line cytotoxicity and median lethal dose (LD50). The results signify that these compounds could serve as potential leads in the drug discovery process for the treatment of ALK targeted lung cancer.