Publication Type:

Journal Article


Journal of Pharmaceutical Sciences and Research, Pharmainfo Publications, Volume 9, Number 7, p.1117-1121 (2017)



<p>Lung cancer is one of the most prevailing cancers that cause death worldwide. Non-small cell lung cancer is getting tremendously increased day-by-day because of cigarette smoking. On exposure to the tobacco carcinogen- nicotine derived nitrosamine ketone (NNK) leads to the over expression of hepatocyte growth factor (HGF) and c-Met protein,that triggers processes such as metastasis, angiogenesis, anti-apoptosis, enhanced cell growth and motility. Methotrexate treats NSCLC; with major side effects leucopenia and inflammation. So it was essential to propose a novel drug having more potential, least side effects and better therapeutic efficacy. The uptake of flavonoid foods can reduce the risk and further progression of lung cancer. Apart from antitumor activity, flavonoids also possess blood cell production and anti-inflammatory actions. Hence c-Met protein resides attractive binding sites for the invention of new drugs for NSCLC by the incorporation of computational simulation tools and softwares. The docking analysis was performed using Arguslab for the identification of best ligands by predicting the ligand conformation in the protein active sites and assessment of binding affinities. Among 28 ligands were docked with the protein (pdb id: 5EOB) all had shown higher docking scores than the standard drug methotrexate. Thus, we can conclude that flavonoids can become a promising lead in designing a new and improved drug target that are beneficial in NSCLC therapy. Further analysis can be conducted for the synthesis of these drug targets to determine its actions in both in vivo and in vitro studies. © 2017, Pharmainfo Publications. All rights reserved.</p>


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Cite this Research Publication

A. Rajendran, Martin, S., Eso, R., Asha Asokan Manakadan, and .T.S, S., “Computational simulation studies of various flavonoid subclasses on treating non-small cell lung carcinoma associated with cigarette smoking”, Journal of Pharmaceutical Sciences and Research, vol. 9, pp. 1117-1121, 2017.