中文关键词:高危型HPVE6蛋白黄酮化合物分子对接 英文关键词:High risk HPVE6 oncoproteinFlavonoidsMolecular docking 基金项目:国家自然科学基金项目（31601066）资助

作者	单位	E-mail
徐苗	西南交通大学生命科学与工程学院 成都 611756
张天一	西南交通大学生命科学与工程学院 成都 611756
丁欢	西南交通大学生命科学与工程学院 成都 611756
田菲菲	西南交通大学生命科学与工程学院 成都 611756	tulwar@home.swjtu.edu.cn

摘要点击次数:801 全文下载次数:0 中文摘要: 宫颈癌以其高发病率和高死亡率严重危害女性健康，传统治疗手段有效率低且治疗过程给患者带来极大痛苦。近年来，许多天然植物来源化合物已被确定为治疗和预防宫颈癌的有希望的药物来源，但天然产物治疗癌症的具体作用机制尚未明确。因此，本文选取了8种黄酮类天然小分子抑制剂，分别与高危型HPV16/18 E6蛋白重要位点LxxLL疏水口袋进行分子对接研究，以期探索天然产物抗宫颈癌的作用机制。对接分析显示，这些天然产物均与HPV18E6蛋白LxxLL疏水口袋产生较强相互作用，与HPV16 E6蛋白对接时，木犀草素则比其他7种黄酮类化合物结合得更为深入，这些相互作用可能有助于p53功能的恢复。对接分析有助于理解蛋白质-配体相互作用的分子机制，为设计治疗HPV感染的新药提供依据。 英文摘要: 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. 查看全文查看/发表评论下载PDF阅读器 相关附件：版权转让声明书 -->