KRAS G12C as a Target of Naringenin for Inducing Cell Death in NCI-H23 Cells

Pharmacognosy Research,2022,14,3,256-262.DOI:10.5530/pres.14.3.37Published:July 2022Type:Original ArticleAuthors:Abani Kumar Patar, Lakhon Kma, Jitul Barman, Shekhar Ghosh, and Taranga Jyoti Baruah Author(s) affiliations:Abani Baruah* Department of Biochemistry, Assam Royal Global University, Guwahati, Assam, INDIA. Abstract:Background: Naringenin (NGN) is a commonly available flavonoid in the citrus fruits. We have previously shown that NGN cytotoxic to non-small cell lung cancer (NSCLC) line NCI-H23 (H23). Objectives: To check whether could bind Kirsten rat sarcoma (KRAS) G12C mutant cause its inhibition promote apoptosis H23 cells. Materials Methods: was docked with KRAS protein followed by molecular dynamics simulation. HDOCK used analyse influence on PI3K proteinprotein docking. checked ultramorphological structure A 2D-QSAR study carried out predict activity NGN. Results: observed bound stably KRAS. showed steady RMSF RMSD values, good structural stability, favourable MM/PBSA values. interfered binding PI3K. treated cells hallmarks apoptotic death. The predictive pIC50 value found be 7.39 for against cleared all drug filters. Conclusion: conclude potentially inhibiting That affects PI3K/Akt pathway activation leading Keywords:Apoptosis, Docking, KRAS, naringenin, NSCLC, QSARView:PDF (468.79 KB)