Abstract：
Chronic atrophic gastritis (CAG), characterized by inflammation and erosion of the gastric lining, is a prevalent digestive disorder and considered a precursor to gastric cancer (GC). Coptis chinensis France (CCF) is renowned for its potent heat-clearing, detoxification, and anti-inflammatory properties. Zuojin Pill (ZJP), a classic Chinese medicine primarily composed of CCF, has demonstrated effectiveness in CAG treatment. This study aims to elucidate the potential mechanism of CCF treatment for CAG through a multifaceted approach encompassing network pharmacology, molecular docking, molecular dynamics simulation and experimental verification. The study identified three major active compounds of CCF and elucidated key pathways, such as TNF signaling, PI3K-Akt signaling and p53 signaling. Molecular docking revealed interactions between these active compounds and pivotal targets like PTGS2, TNF, MTOR, and TP53. Additionally, molecular dynamics simulation validated berberine as the primary active compound of CCF, which was further confirmed through experimental verification. This study not only identified berberine as the primary active compound of CCF but also provided valuable insights into the molecular mechanisms underlying CCF\'s efficacy in treating CAG. Furthermore, it offers a reference for refining therapeutic strategies for CAG management.
摘要：
慢性萎缩性胃炎（CAG），以胃壁发炎和糜烂为特征，是一种普遍的消化系统疾病，被认为是胃癌（GC）的前兆。法国黄连（CCF）以其有效的清热而闻名，排毒,和抗炎特性。左金丸（ZJP），主要由CCF组成的经典中药，已证明在CAG治疗中有效。本研究旨在通过包括网络药理学在内的多方面方法阐明CCF治疗CAG的潜在机制。分子对接,分子动力学模拟和实验验证。该研究确定了CCF的三种主要活性化合物，并阐明了关键途径，如TNF信号，PI3K-Akt信号和p53信号。分子对接揭示了这些活性化合物与关键靶标如PTGS2，TNF，MTOR,TP53。此外,分子动力学模拟验证了小檗碱是CCF的主要活性化合物，通过实验验证进一步证实了这一点。这项研究不仅确定了小檗碱是CCF的主要活性化合物，而且为CCF治疗CAG的潜在分子机制提供了有价值的见解。此外，为完善CAG管理的治疗策略提供参考。
