Repository Akfar Bumi Siliwangi



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



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

URL:
http://103.158.96.210:88/web_repository/uploads/42821-163113-2-PB.pdf

Type:
Journal

Document:
Diploma III Farmasi

Date:
23-06-2024

Author:
TEUKU B SEPTIADY