Revealing the Active Constituents and Mechanisms of Semiliquidambar cathayensis Chang Roots against Rheumatoid Arthritis through Network Pharmacology, Molecular Docking, and in Vivo Experiment,Chemistry & Biodiversity

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Revealing the Active Constituents and Mechanisms of Semiliquidambar cathayensis Chang Roots against Rheumatoid Arthritis through Network Pharmacology, Molecular Docking, and in Vivo Experiment
Chemistry & Biodiversity ( IF 2.3 ) Pub Date : 2022-11-24 , DOI: 10.1002/cbdv.202200916
Xiaoyi Xia ₁ , Huang Zeng ₂ , Huilei Wang ₁ , Xin Li ₁ , Shengyuan Zhang ₂ , Li Yang ₁ , Junwei He ₁

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Semiliquidambar cathayensis Chang roots (SC) are traditional Chinese medicine for treating rheumatoid arthritis (RA). However, the effect and potential mechanism of SC remain unclear. This study aims to reveal the anti-RA constituents and mechanisms of SC based on network pharmacology, molecular docking, and adjuvant-induced arthritis (AIA) model rat experiment. In this work, 9 potential active constituents, including kaempferol, quercetin, naringenin, paeoniflorin, catechin, fraxin, gentianin, hesperetin, and ellagic acid 3,3′,4-trimethyl ether, in SC crossed 65 target genes of RA. In addition, 28 core targets were enriched in inflammation and others, among which interleukin-17 (IL-17) and tumor necrosis factor (TNF) were the major targets. The binding of bio-constituents with IL-17 and TNF were performed using molecular docking. Rat experiment demonstrated that the extract of SC restored body weight loss, reduced arthritis score and the indices of thymus and spleen, alleviated ankle joint histopathology, decreased the levels of rheumatoid factor (RF), C-reactive protein (CRP), IL-17, TNF-α, IL-1β, IL-6, cyclooxygenase-2 (COX-2), 5-lipoxygenase (5-LOX), and matrix metalloproteinase-2 (MMP-2), whereas elevated the levels of IL-4 and IL-10. Collectively, it was the first time to comprehensively reveal the anti-RA efficacy and mechanism of SC via suppressing the inflammatory pathway based on network pharmacology, molecular docking, and experimental verification, which provide chemical and pharmacological evidences for the clinical application of SC.

中文翻译：

通过网络药理学、分子对接和体内实验揭示半清香根抗风湿性关节炎的活性成分和作用机制

华夏枫香Chang roots (SC) 是治疗类风湿性关节炎 (RA) 的中药。然而，SC 的作用和潜在机制仍不清楚。本研究旨在基于网络药理学、分子对接和佐剂性关节炎 (AIA) 模型大鼠实验揭示 SC 的抗 RA 成分和机制。在这项工作中，山奈酚、槲皮素、柚皮素、芍药苷、儿茶素、白蜡素、龙胆苷、橙皮素和鞣花酸 3,3',4-三甲醚等 9 种潜在活性成分在 SC 中与 65 个 RA 靶基因交叉。此外，在炎症等方面富集了28个核心靶点，其中白细胞介素17（IL-17）和肿瘤坏死因子（TNF）是主要靶点。使用分子对接进行生物成分与 IL-17 和 TNF 的结合。大鼠实验表明，SC 提取物可恢复体重减轻，降低关节炎评分及胸腺和脾脏指标，减轻踝关节组织病理学，降低类风湿因子 (RF)、C 反应蛋白 (CRP)、IL-17 水平、TNF-α、IL-1β、IL-6、环氧合酶-2 (COX-2)、5-脂氧合酶 (5-LOX) 和基质金属蛋白酶-2 (MMP-2)，而 IL-4 水平升高和 IL-10。总的来说，这是第一次全面揭示 SC 的抗 RA 功效和机制而升高了 IL-4 和 IL-10 的水平。总的来说，这是第一次全面揭示 SC 的抗 RA 功效和机制而升高了 IL-4 和 IL-10 的水平。总的来说，这是第一次全面揭示 SC 的抗 RA 功效和机制通过基于网络药理学、分子对接和实验验证的抑制炎症通路，为SC的临床应用提供了化学和药理依据。

更新日期：2022-11-24

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