NMPA Key Laboratory for Quality Control of Traditional Chinese Medicine (Mongolian Medicine), School of Mongolian Medicine, Inner Mongolia Minzu University, Tongliao 028000, China.
Key Laboratory of Tropical Translational Medicine of Ministry of Education, Hainan Provincial Key Laboratory for Research and Development of Tropical Herbs, School of Pharmacy, Hainan Medical University, Haikou 571199, China.
Medicina (Kaunas). 2023 Mar 27;59(4):666. doi: 10.3390/medicina59040666.
: is a well-known medicinal herb that is often used to treat gastric ulcer, but its molecular mechanism of anti-ulcer action is poorly understood. This research aimed to reveal the potential active components, core targets, and mechanisms of in treating gastric ulcer by combining network pharmacology and animal experimentation. : First, a network pharmacology strategy was used to predict the main components, candidate targets, and potential signaling pathways. Molecular docking was then used to confirm the binding affinity between the main components and primary targets. Finally, rats were treated with indomethacin 30 mg/kg to establish a gastric ulcer model. extract (0.15, 0.3, and 0.6 g/kg) was pre-treated in rats by oral gavage for 14 days, and the protective effect and candidate targets of network pharmacology were validated through morphological observation, pathological staining, and biochemical index detection. : A total of eight potential active components and 331 predicted targets were screened from , 37 of which were common targets with gastric ulcer. According to the component-target network and protein-protein interaction (PPI) network, stigmasterol, mairin, sitosterol, and dehydrocostus lactone were identified as the key components, and RAC-alpha serine/threonine-protein kinase (AKT1), prostaglandin-endoperoxide synthase 2 (PTGS2), interleukin 1 beta (IL1B), caspase-3 (CASP3), and CASP8 were selected as the core targets. Gene ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG) enrichment results revealed the pharmacological mechanism of against gastric ulcer related to many biological processes and pathways, including antibacterial, anti-inflammatory, prostaglandin receptor response, and apoptosis. Molecular docking verification showed that the key components and core targets had good binding affinities. In the in vivo experiments, notably relieved the gastric ulcer by reducing the levels of tumor necrosis factor (TNF)-α, interleukin (IL)-1β, and myeloperoxidase (MPO) while improving the gastric histopathological features. : The overall findings suggest that treats gastric ulcer with a multi-component, multi-target, and multi-mechanism model.
莪术是一种常用的治疗胃溃疡的草药,但对其抗溃疡作用的分子机制知之甚少。本研究旨在通过网络药理学和动物实验相结合的方法,揭示莪术治疗胃溃疡的潜在活性成分、核心靶点和作用机制。
首先,采用网络药理学策略预测主要成分、候选靶点和潜在信号通路。然后,用分子对接验证主要成分与主要靶点的结合亲和力。最后,用吲哚美辛 30mg/kg 处理大鼠建立胃溃疡模型。用莪术提取物(0.15、0.3 和 0.6g/kg)灌胃预处理大鼠 14 天,通过形态学观察、病理染色和生化指标检测验证网络药理学的保护作用和候选靶点。
从莪术中筛选出 8 种潜在活性成分和 331 个预测靶点,其中 37 个是与胃溃疡共同的靶点。根据成分-靶点网络和蛋白质-蛋白质相互作用(PPI)网络,鉴定出豆甾醇、马里苷、谷甾醇和去氢木香内酯为关键成分,RAC-α丝氨酸/苏氨酸蛋白激酶(AKT1)、前列腺素内过氧化物合酶 2(PTGS2)、白细胞介素 1β(IL1B)、半胱天冬酶 3(CASP3)和半胱天冬酶 8(CASP8)为核心靶点。基因本体(GO)和京都基因与基因组百科全书(KEGG)富集结果表明,莪术治疗胃溃疡的药理机制与多种生物学过程和途径有关,包括抗菌、抗炎、前列腺素受体反应和细胞凋亡。分子对接验证表明,关键成分和核心靶点具有良好的结合亲和力。在体内实验中,莪术明显缓解了胃溃疡,降低了肿瘤坏死因子(TNF)-α、白细胞介素(IL)-1β和髓过氧化物酶(MPO)的水平,同时改善了胃组织病理学特征。
综上所述,莪术通过多成分、多靶点、多机制模型治疗胃溃疡。