The Korean Journal of Physiology and Pharmacology

The Korean Society of Pharmacology (대한약리학회)
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Network pharmacology and molecular docking reveal the mechanism of Qinghua Xiaoyong Formula in Crohn's disease

  • Chenyang Fang (Department of Proctology, Shuguang Hospital Affiliated to Shanghai University of Traditional Chinese Medicine) ;
  • Yanni Pei (Department of Proctology, Shuguang Hospital Affiliated to Shanghai University of Traditional Chinese Medicine) ;
  • Yunhua Peng (Department of Proctology, Shuguang Hospital Affiliated to Shanghai University of Traditional Chinese Medicine) ;
  • Hong Lu (Department of Proctology, Shuguang Hospital Affiliated to Shanghai University of Traditional Chinese Medicine) ;
  • Yin Qu (Department of Proctology, Shuguang Hospital Affiliated to Shanghai University of Traditional Chinese Medicine) ;
  • Chunsheng Luo (Department of Proctology, Shuguang Hospital Affiliated to Shanghai University of Traditional Chinese Medicine) ;
  • Yafeng Lu (Department of Proctology, Shuguang Hospital Affiliated to Shanghai University of Traditional Chinese Medicine) ;
  • Wei Yang (Department of Proctology, Shuguang Hospital Affiliated to Shanghai University of Traditional Chinese Medicine)
  • Received : 2023.02.08
  • Accepted : 2023.04.06
  • Published : 2023.07.01
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Abstract

Crohn's disease (CD) is a chronic inflammatory illness of the digestive system with unknown etiology, and its incidence is increasing worldwide. However, there are currently no effective treatments or medications available for individuals with CD. Therefore, novel therapeutic strategies are urgently needed. The bioactive compounds and targets associated with compounds of Qinghua Xiaoyong Formula (QHXYF) were examined using The Traditional Chinese Medicine Systems Pharmacology database, and 5 disease target databases were also used to identify CD-related disease targets. A total of 166 overlapping targets were identified from QHXYF-related and CD-related disease targets and they were found to be enriched in oxidative stress-related pathways and the PI3K/AKT signaling pathway. Molecular docking was then used to predict how the bioactive compounds would bind to the hub targets. It was found that quercetin could be the core bioactive compound and had good binding affinity to the top 5 hub targets. Finally, animal experiments were performed to further validate the findings, and the results revealed that QHXYF or quercetin inhibited 2,4,6-trinitrobenzenesulfonic acid-induced inflammation and oxidative stress processes by inhibiting the PI3K/AKT pathway, thereby improving CD symptoms. These findings suggest that QHXYF and quercetin may be potential novel treatments for CD.

Keywords

Acknowledgement

This work was supported by the Shanghai Key Clinical Specialties Project (Grant No. shslczdzk04302), Shanghai Science and Technology Commission Science and Technology Innovation Action Plan Project (Grant No. 22Y11922300), Clinical Research Plan of SHDC (Grant No. SHDC2020CR3094B), National Natural Science Foundation Youth Program (Grant No. 82104868) and Shanghai Health and Health Commission Grant Project (Grant No. 20204Y0180).

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