In-silico analysis of phytocompounds for inhibition of nAChRs receptor mediated lung cancer

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Lung cancer is mostly found in cigarette smokers. Nicotine Acetyl-CoA receptor (nAChR) is found to be responsible for this cancerous activity. When cigarette containing nicotine binds with this receptor of lung cells the carcinogenic activity is initiated. Hence, there is a possibility for the prevention of lung cancer formation when the nicotine is competitively inhibited by an interfering molecule preferably from natural products. Natural products from plants have benefits like anti tumor, anti-inflammatory, and so on. This will add additional support in the management of lung cancer and associated complication. This study was planned to identify the natural compounds which have more affinity to the nicotine Acetyl-CoA receptor (nAChR) than the nicotine by in silico evaluation using Auto dock software. About six compounds were subjected and proved with preclinical studies were obtained from literature survey and were computed for docking and characterization. Results showed that Taxol had minimum energy level of -11.54 kcal/mol to the nicotine Acetyl-CoA receptor (nAChR) compared to the nicotine energy level of -7.01.Other molecules are having the activity in the following order Combretastatins < Camptothecin < Liriodenine < Curcumin and Podophyllotoxin < Taxol. It is concluded that these data may be useful for the preparation of different combinations and formulations for the management of lung cancer.

I. Introduction

Lung cancer is referred as bronchiogenic cancer or bronchiogenic carcinoma. There are two major forms of lung cancer, small cell lung cancer and non-small cell lung cancer. Both of these cancers arise from the epithelial cells that line the airways of the lungs.

Among these two types non-small lung cell ca...

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