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In Silico Analysis Of Phytocompounds For Inhibition Of N A Ch Rs Receptor Mediated Lung Cancer

2034 words - 8 pages

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 cancer is mostly found in cigarette smokers (Chia-Hwa Lee,et al., 2011; Eliot R. Spindel, 2012 ). Based on this fact a study was planned with some plant based molecule like Combretastatins, Camptothecin, Liriodenine, Curcumin, Podophyllotoxin and Taxol for anticancer activity screening against nicotine Acetyl-CoA receptor (nAChR) responsible cancer induction (Aggarwal BB, et al., 2006; Srivastava V, et al., 2005 ). The list of molecules selected for the study and their properties related to the aim of this study was chosen by literature review and listed here.

Combretastatin A-4 (CA-4) analogues are biaryls connected by an ethylene bridge and have excellent antitumoral and antivascular activities, hence it have attracted considerable interest among medicinal chemists (Celie PH, et al., 2004). The microtubule destabilising agents, combretastatin-A4 (CA-4) led to microtubular array disorganization, arrest in mitosis and abnormal metaphases, accompanied by the presence of numerous centrosome-independent star-like structures containing tubulin and aggregates of pericentrosomal matrix components like γ-tubulin, pericentrin and ninein, whereas the structural integrity of centrioles was not affected by treatment (Cenciarelli C,...

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