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用分子对接技术研究柴胡抗乙肝病毒的有效成分

Study on the Active Components in Radix Bupleuri against Hepatitis B Virus by Molecular Docking Technology

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【作者】 王卫京詹世平丁仕强

【Author】 WANG Wei-jing;ZHAN Shi-ping;DING Shi-qiang;College of Environment and Chemical Engineering, Dalian University;

【机构】 大连大学环境与化学工程学院

【摘要】 乙型肝炎是一种难康复的传染性疾病,柴胡是一味常见的治疗乙型肝炎的中药。本文以乙肝病毒核蛋白为靶点,用分子对接技术研究了柴胡中抗乙肝病毒的有效成分。研究结果表明,柴胡中含有抑制乙肝病毒的成分。其中Petunidin等组分与乙肝病毒核蛋白对接效果较好,能够有效的抑制乙肝病毒复制。Saikosaponin类组分不符合Lipinski类药规则,不易被人体吸收和代谢,限制了该组分抑制乙肝病毒作用的发挥。

【Abstract】 Hepatitis B is a contagious disease that is difficult to recover. Radix Bupleuri is a Chinese medicine that is often used in the treatment of hepatitis B. Taking hepatitis B virus core protein as the target, the active components in Radix Bupleuri against hepatitis B virus are studied by molecular docking technology. The investigation results show that Radix Bupleuri contains components that inhibit hepatitis B virus. Petunidin and other components have good docking result with hepatitis B virus core protein and can inhibit hepatitis B virus replication effectively.Saikosaponin components do not conform to the Lipinski rule and are not easily absorbed and metabolized by the human body, whose roles in inhibiting hepatitis B virus are limited.

【关键词】 柴胡分子对接乙肝病毒
【Key words】 Radix Bupleurimolecular dockinghepatitis B virus
  • 【文献出处】 大连大学学报 ,Journal of Dalian University , 编辑部邮箱 ,2019年03期
  • 【分类号】R285
  • 【被引频次】5
  • 【下载频次】312
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