Citation: Xu Miao, Zhang Tianyi, Ding Huan, Tian Feifei. Molecular Docking Study on the Interaction between High-Risk HPV16/18 E6 Protein and Eight Flavonoids[J]. Chemistry, ;2020, 83(2): 144-149. shu

Molecular Docking Study on the Interaction between High-Risk HPV16/18 E6 Protein and Eight Flavonoids

School of Life Science and Engineering, Southwest Jiaotong University, Chengdu, 611756

Corresponding author: Tian Feifei, tulwar@home.swjtu.edu.cn
Received Date: 1 September 2019
Accepted Date: 4 October 2019

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Cervical cancer is a serious threat to women's health due to its high morbidity and high mortality. Traditional treatments are inefficient and the treatment process is extremely painful. In recent years, many natural plant-derived compounds have been identified as promising drug sources for the treatment and prevention of cervical cancer. However, the specific mechanism of natural products for the treatment of cancer has not been clarified. Therefore, eight flavonoid natural small molecule inhibitors were selected and molecularly docked with the high-risk HPV16/18 E6 protein important locus LxxLL hydrophobic pocket to explore the mechanism of natural products against cervical cancer. Docking analysis showed that these natural products interacted strongly with the HPV18E6 protein LxxLL hydrophobic pocket. When docked with HPV16 E6 protein, luteolin binds more deeply than the other seven flavonoids, and these interactions may contribute to the recovery of p53 function. Docking analysis is helpful for understanding the molecular mechanisms of protein-ligand interactions and provides a basis for designing new drugs for the treatment of HPV infection.
- High risk HPV,
- E6 oncoprotein,
- Flavonoids,
- Molecular docking
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