Network pharmacology and molecular docking reveal the mechanism of Qinghua Xiaoyong Formula in Crohn’s disease

• 영문명: Network pharmacology and molecular docking reveal the mechanism of Qinghua Xiaoyong Formula in Crohn’s disease
• 발행기관: 대한생리학회-대한약리학회
• 저자명: Chenyang Fang Yanni Pei Yunhua Peng Hong Lu Yin Qu Chunsheng Luo Yafeng Lu Wei Yang
• 간행물 정보: 『The Korean Journal of Physiology & Pharmacology』제27권 제4호, 365~374쪽, 전체 10쪽
• 주제분류: 의약학 > 의학일반
• 파일형태: PDF
• 발행일자: 2023.07.31

영문 초록

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. INTRODUCTION Crohn's disease (CD) is a chronic inflammatory illness of the digestive system with an unknown etiology, and its incidence is increasing worldwide [1]. Over the course of a patient's lifetime, CD frequently relapses and can result in complications, such as colon stenosis, abscesses, and fistulas. CD is closely related to inflammation and the induction of oxidative stress, which can worsen over time [2,3]. Currently, there are no effective treatments or medications available for individuals with CD [4]. The main goal of treatment is to alleviate colonic inflammation, control acute flares of the disease, and reduce recurrence through targeted intervention of inflammatory molecules. Therefore, novel

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키워드

Crohn disease Molecular docking simulation Network pharmacology Medicine C hinese traditional Quercetin