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In-silico discovery of the hapten-based interaction between idiosyncratic hepatotoxic ingredients of Polygonum multiflorum and HLA-B*35:01

Dake Xiao Xu Zhao Xiaoyan Zhan Zhuo Shi Zhaofang Bai Jiang Zheng Xiaohe Xiao Jiabo Wang

中医药科学（英文）2025，Vol.3Issue(1)：15-27,13.
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中医药科学（英文）2025，Vol.3Issue(1)：15-27,13.DOI:10.1097/st9.0000000000000063

In-silico discovery of the hapten-based interaction between idiosyncratic hepatotoxic ingredients of Polygonum multiflorum and HLA-B*35:01

In-silico discovery of the hapten-based interaction between idiosyncratic hepatotoxic ingredients of Polygonum multiflorum and HLA-B*35:01

Dake Xiao 1Xu Zhao 2Xiaoyan Zhan 2Zhuo Shi 2Zhaofang Bai 2Jiang Zheng 3Xiaohe Xiao 2Jiabo Wang4

作者信息

  • 1. College of Traditional Chinese Medicine,Capital Medical University,Beijing,China||China Military Institute of Chinese Materia,the Fifth Medical Centre of Chinese PLA General Hospital,Beijing,China||Department of Hepatology,Fifth Medical Center of Chinese PLA General Hospital,Beijing,China
  • 2. China Military Institute of Chinese Materia,the Fifth Medical Centre of Chinese PLA General Hospital,Beijing,China||Department of Hepatology,Fifth Medical Center of Chinese PLA General Hospital,Beijing,China
  • 3. Wuya College of Innovation,Shenyang Pharmaceutical University,Shenyang,China
  • 4. College of Traditional Chinese Medicine,Capital Medical University,Beijing,China
  • 折叠

摘要

关键词

Idiosyncratic drug-induced liver injury/Polygonum multiflorum/Chinese herbal medicine/Emodin-8-O-β-D-glucoside/Molecular docking/molecular dynamics

Key words

Idiosyncratic drug-induced liver injury/Polygonum multiflorum/Chinese herbal medicine/Emodin-8-O-β-D-glucoside/Molecular docking/molecular dynamics

引用本文复制引用

Dake Xiao,Xu Zhao,Xiaoyan Zhan,Zhuo Shi,Zhaofang Bai,Jiang Zheng,Xiaohe Xiao,Jiabo Wang..In-silico discovery of the hapten-based interaction between idiosyncratic hepatotoxic ingredients of Polygonum multiflorum and HLA-B*35:01[J].中医药科学（英文）,2025,3(1):15-27,13.

基金项目

This work was financially supported by National Nature Science Foundation of China(grant No.82074112 and No.82230118),Beijing Natural Science Foundation(JQ21026),CMU Talent Pro-ject(1220090104),and NATCM High-level Key Discipline Pro-ject(ZYYZDXK-2023004). （grant No.82074112 and No.82230118）

中医药科学（英文）

2836-922X

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