In Silico Assessment and Molecular Docking Studies of Some Phyto-Triterpenoid for Potential Disruption of Mortalin-p53 Interaction

Processes

Thanh Le Thi Dang¹  Minh Quan Pham²  Thuy Huong Le Thi²  Quoc Long Pham²  Dung Thuy Nguyen Pham³  Hai Ha Pham Thi³  Le Thi Le⁴  Huy Toan Dao⁴ 

[1] Faculty of Chemistry and Environment, Thuyloi University, Hanoi 11517, Vietnam;Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology, Hanoi 11517, Vietnam;NTT Hi-Tech Institute, Nguyen Tat Thanh University, Ho Chi Minh City 70000, Vietnam;School of Chemical Engineering, Hanoi University of Science and Technology, Hanoi 11517, Vietnam;

关键词: triterpenoid;    molecular docking;    p53;    anti-cancer;   

DOI  :  10.3390/pr9111983

来源: DOAJ

【 摘 要 】

Human hepatocellular carcinoma (HCC), the most common type of liver cancer, represents the second most common cause of death from cancer worldwide. The high toxicity and side effects of some cancer chemotherapy drugs increase the demand for new anti-cancer drugs from natural products. Mortalin/mtHsp70, a stress response protein, has been reported to contribute to the process of carcinogenesis in several ways, including the inhibition of the transcriptional activation of p53. This study conducted a molecular docking study of 41 phyto triterpenes originated from Vietnamese plants for potential Mortalin inhibition activity. Nine compounds were considered as promising inhibitors based on the analysis of binding affinity and drug-like and pharmacokinetic properties.

【 授权许可】

Unknown