School of Functional Food and Wine, Shenyang Pharmaceutical University, Shenyang, China.
School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, China.
J Food Biochem. 2022 Jan;46(1):e14020. doi: 10.1111/jfbc.14020. Epub 2021 Nov 25.
Shanzha (Crataegus pinnatifida Bunge), an edible traditional Chinese medicine (TCM), has an effect on dyspepsia. However, the investigations of the pharmacological effects have not been carried out. This study aimed to identify the potential targets and pharmacological mechanisms of Shanzha in the treatment of dyspepsia by network pharmacology and molecular docking. Five active compounds and 13 key targets were obtained by a set of bioinformatics assays. Vitexin 7-glucoside, suchilactone, and 20-hexadecanoylingenol were the main compounds acting on dyspepsia. The key targets were prostaglandin-endoperoxide synthase 2 (PTGS2), serine/threonine-protein kinase mTOR (MTOR), heat shock protein HSP 90-alpha (HSP90AA1), mitogen-activated protein kinase 1 (MAPK1), MAPK3, E3 ubiquitin-protein ligase Mdm2 (MDM2), receptor tyrosine-protein kinase erbB-2 (ERBB2), caspase-3 (CASP3), matrix metalloproteinase-9 (MMP9), estrogen receptor (ESR1), tumor necrosis factor (TNF), phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PIK3CA), and peroxisome proliferator-activated receptor gamma (PPARG), which played the vital roles in TNF, prostate cancer, thyroid hormone, hepatitis B and estrogen signaling pathway. The molecular mechanisms of Shanzha regulating dyspepsia were mainly related to reduction of inflammatory response, controlling cell proliferation and survival, increasing intestinal moisture, and promoting intestinal motility. PRACTICAL APPLICATIONS: Shanzha has been used as an edible TCM to improve digestion for a long time. However, the ingredients and mechanisms of Shanzha in the treatment of dyspepsia are not clear. In this research, network pharmacological analysis integrated with molecular docking was conducted to investigate the molecular mechanism. The results suggested that the core targets alleviated dyspepsia by reducing the intestinal inflammatory response, increasing intestinal movement, controlling cell physiological activities, and reducing constipation. In summary, this study demonstrated the multiple compounds, targets, and pathways characteristics of Shanzha in the treatment of dyspepsia, which may provide guidance and foundations for further application of edible medicine.
山楂（Crataegus pinnatifida Bunge）作为一种传统的食用中药，对消化不良有一定疗效。然而，其药理作用的研究尚未开展。本研究采用网络药理学和分子对接的方法，旨在探讨山楂治疗消化不良的潜在靶点和作用机制。通过一系列生物信息学分析，获得了 5 种活性化合物和 13 个关键靶点。牡荆素 7-葡萄糖苷、齐墩果酸和 20-十六烷酰基赤藓醇是作用于消化不良的主要化合物。关键靶点包括前列腺素内过氧化物合酶 2（PTGS2）、丝氨酸/苏氨酸蛋白激酶 mTOR（MTOR）、热休克蛋白 HSP90-α（HSP90AA1）、丝裂原活化蛋白激酶 1（MAPK1）、MAPK3、E3 泛素蛋白连接酶 Mdm2（MDM2）、受体酪氨酸蛋白激酶 erbB-2（ERBB2）、半胱氨酸天冬氨酸蛋白酶 3（CASP3）、基质金属蛋白酶 9（MMP9）、雌激素受体（ESR1）、肿瘤坏死因子（TNF）、磷脂酰肌醇 4,5-二磷酸 3-激酶催化亚单位 α 同工型（PIK3CA）和过氧化物酶体增殖物激活受体 γ（PPARG），这些靶点在 TNF、前列腺癌、甲状腺激素、乙型肝炎和雌激素信号通路中发挥着重要作用。山楂调节消化不良的分子机制主要与减轻炎症反应、控制细胞增殖和存活、增加肠道水分、促进肠道蠕动有关。
山楂作为一种食用中药，长期以来一直被用于改善消化。然而，山楂治疗消化不良的成分和机制尚不清楚。本研究采用网络药理学分析结合分子对接技术，探讨其分子机制。结果表明，核心靶点通过减轻肠道炎症反应、增加肠道运动、控制细胞生理活性和减少便秘来缓解消化不良。综上所述，本研究表明山楂治疗消化不良具有多种化合物、靶点和途径的特点，可为进一步研究和应用食用药物提供指导和基础。
