In Silico Study of Cembranoid-Type Diterpene Targeting Kirsten Rat Sarcoma Virus (KRAS) Gene in Lung Cancer

Lung cancer is genetic changes in the V-Ki-ras2 gene Kirsten rat sarcoma viral oncogene homolog (KRAS), which involved signaling pathways related to proliferation, cell differentiation, and apoptosis. Point mutations KRAS were detected 15% 20% of all Non-Small Cell Carcinoma (NSCLCs) about 30% lung adenocarcinomas, with most common mutation being at codon 12. This study aimed determine binding reaction between diterpene-type cembranoid compounds from tobacco leaves (Nicotiana tabacum L.) human cancer. We found presence a cembranoid-type diterpene active compound form thunbergol (C20H34O) Gas Chromatography Mass Spectroscopy (GC-MS) examination. Based on results molecular docking, it was that ligand binds receptor yield G -7.0 kcal/mol, pKi 7.35 M, one hydrogen bond type ILE36 (1,937 Å). In conclusion, can be considered an anticancer because interaction through proliferation differentiation pathways, as well