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Network pharmacology, molecular docking, and untargeted metabolomics reveal molecular mechanisms of multi-targets effects of Qingfei Tongluo Plaster improving respiratory syncytial virus pneumonia 网络药理学、分子对接和非靶向代谢组学揭示清瘟通络膏改善呼吸道合胞病毒肺炎多靶点效应的分子机制
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2024-10-01 DOI: 10.1016/j.chmed.2024.07.007
Mengfei Yang , Xiuying Zhang , Qing Liu , Yongxue Wang
<div><h3>Objective</h3><div>Qingfei Tongluo Plaster (QFP), an improved Chinese medicine hospital preparation, is an attractive treatment option due to its well clinical efficacy, convenience, economy, and patient compliance in the treatment of respiratory syncytial virus (RSV) pneumonia. The aim of this study was to investigate the efficacy mechanism of QFP on RSV rats from the perspective of alleviating lung inflammation and further explore the changes of serum metabolites and metabolic pathways in RSV rats under the influence of QFP.</div></div><div><h3>Methods</h3><div>This study used network pharmacological methods and molecular docking combined with molecular biology and metabolomics from multi-dimensional perspectives to screen and verify the therapeutic targets. Open online databases were used to speculate the gene targets of efficient ingredients and diseases. Then, we used the String database to examine the fundamental interaction of common targets of drugs and diseases. An online enrichment analysis was performed to predict the functional pathways. Molecular docking was applied to discover the binding modes between essential ingredients and crucial gene targets. Finally, we demonstrated the anti-inflammatory ability of QFP in the RSV-evoked pneumonia rat model and explained the mechanism in combination with the metabolomics results.</div></div><div><h3>Results</h3><div>There were 19 critical targets defined as the core targets: tumor necrosis factor (<em>TNF</em>), inducible nitric oxide synthase 2 (<em>NOS2</em>), mitogen-activated protein kinase 14 (<em>MAPK14</em>), g1/S-specific cyclin-D1 (<em>CCND1</em>), signal transducer and activator of transcription 1-alpha/beta (<em>STAT1</em>), proto-oncogene tyrosine-protein kinase Src (<em>SRC</em>), cellular tumor antigen p53 (<em>TP53</em>), interleukin-6 (<em>IL6</em>), hypoxia-inducible factor 1-alpha (<em>HIF1A</em>), RAC-alpha serine/threonine-protein kinase (<em>AKT1</em>), signal transducer and activator of transcription 3 (<em>STAT3</em>), heat shock protein HSP 90-alpha (<em>HSP90AA1</em>), tyrosine-protein kinase JAK2 (<em>JAK2</em>), cyclin-dependent kinase inhibitor 1 (<em>CDKN1A</em>), mitogen-activated protein kinase 3 (<em>MAPK3</em>), epidermal growth factor receptor (<em>EGFR</em>), myc proto-oncogene protein (<em>MYC</em>), protein c-Fos (<em>FOS</em>) and transcription factor p65 (<em>RELA</em>). QFP treated RSV pneumonia mainly through the phosphatidylinositol 3-kinase (PI3K)/RAC AKT pathway, HIF-1 pathway, IL-17 pathway, TNF pathway, and MAPK pathway. Animal experiments proved that QFP could effectively ameliorate RSV-induced pulmonary inflammation. A total of 28 metabolites underwent significant changes in the QFP treatment, and there are four metabolic pathways consistent with the KEGG pathway analyzed by network pharmacology, suggesting that they may be critical processes related to treatment.</div></div><div><h3>Conclusion</h3><div>These results provide essential p
目的清瘟通络膏(QFP)是一种改良的中药医院制剂,在治疗呼吸道合胞病毒(RSV)肺炎方面具有良好的临床疗效、方便、经济和患者依从性,是一种有吸引力的治疗选择。本研究旨在从缓解肺部炎症的角度探讨芪苈强心丸对RSV大鼠的疗效机制,并进一步探讨芪苈强心丸影响下RSV大鼠血清代谢物和代谢途径的变化。我们利用开放的在线数据库推测了高效成分和疾病的基因靶点。然后,我们利用 String 数据库研究了药物和疾病共同靶点的基本相互作用。通过在线富集分析预测功能通路。应用分子对接发现了重要成分与关键基因靶点之间的结合模式。最后,我们证明了 QFP 在 RSV 诱发的肺炎大鼠模型中的抗炎能力,并结合代谢组学结果解释了其机制。结果有 19 个关键靶点被定义为核心靶点:肿瘤坏死因子(TNF)、诱导型一氧化氮合酶 2(NOS2)、丝裂原活化蛋白激酶 14(MAPK14)、g1/S-特异性细胞周期蛋白-D1(CCND1)、信号转导因子和激活因子(MAPK14)、细胞周期蛋白-D1(CCND1)、信号转导和激活转录因子 1-α/β(STAT1)、原癌基因酪氨酸蛋白激酶 Src(SRC)、细胞肿瘤抗原 p53(TP53)、白细胞介素 6(IL6)、缺氧诱导因子 1-α(HIF1A)、RAC-α丝氨酸/苏氨酸蛋白激酶(AKT1)、转录信号转导和激活因子 3(STAT3)、热休克蛋白 HSP 90-α(HSP90AA1)、酪氨酸蛋白激酶 JAK2(JAK2)、细胞周期蛋白依赖性激酶抑制剂 1 (CDKN1A)、丝裂原活化蛋白激酶 3 (MAPK3)、表皮生长因子受体 (EGFR)、myc 原癌基因蛋白 (MYC)、c-Fos 蛋白 (FOS) 和转录因子 p65 (RELA)。QFP 主要通过磷脂酰肌醇 3- 激酶(PI3K)/RAC AKT 通路、HIF-1 通路、IL-17 通路、TNF 通路和 MAPK 通路治疗 RSV 肺炎。动物实验证明,QFP 能有效改善 RSV 引起的肺部炎症。共有 28 种代谢物在 QFP 治疗中发生了显著变化,其中有 4 条代谢通路与网络药理学分析的 KEGG 通路一致,表明它们可能是与治疗相关的关键过程。
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引用次数: 0
Phytochemistry, quality control and biosynthesis in ginseng research from 2021 to 2023: A state-of-the-art review concerning advances and challenges 2021 至 2023 年人参研究中的植物化学、质量控制和生物合成:有关进展与挑战的最新综述
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2024-10-01 DOI: 10.1016/j.chmed.2024.08.002
Mengxiang Ding , Huizhen Cheng , Xiaohang Li , Xue Li, Min Zhang, Dianxin Cui, Yijin Yang, Xiaojin Tian, Hongda Wang, Wenzhi Yang
Panax L. (Araliaceae) has a long history of medicinal and edible use due to its significant tonifying effects, and ginseng research has been a hot topic in natural products research and food science. In continuation of our recent ginseng review, we highlighted the advances in ginseng research from 2021 to 2023 with 157 citations, which exhibited the increasingly systematic, collaborative, and intelligent characteristics. In this review, we firstly updated the progress in phytochemistry involving the ginsenosides and polysaccharides and summarized the researches on the active components. Then, some specific applications by feat of the multidimensional chromatography, mass spectrometry imaging, DNA barcoding, and metabolomics, were analyzed, which could provide rich information supporting the multi-component characterization, authentication, and quality control of ginseng and the versatile products. Finally, the recent biosynthesis studies concerning ginsenosides were retrospected. Additionally, the current challenges and future trends with respect to ginseng research were discussed.
人参(Araliaceae)因其显著的补益作用而具有悠久的药用和食用历史,人参研究一直是天然产物研究和食品科学领域的热门话题。作为近期人参研究综述的延续,我们重点介绍了2021年至2023年人参研究的进展,共引用157次,表现出越来越系统化、合作化和智能化的特点。在这篇综述中,我们首先更新了涉及人参皂甙和人参多糖的植物化学研究进展,总结了有效成分的研究情况。然后,分析了多维色谱、质谱成像、DNA 条形码和代谢组学等技术的一些具体应用,为人参及其多用途产品的多组分表征、鉴定和质量控制提供了丰富的信息支持。最后,回顾了近期有关人参皂苷的生物合成研究。此外,还讨论了人参研究的当前挑战和未来趋势。
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引用次数: 0
Compound Danshen Dripping Pills combined with isosorbide mononitrate for angina pectoris: A systematic review and a Meta-analysis 复方丹参滴丸联合单硝酸异山梨酯治疗心绞痛:系统综述和 Meta 分析
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2024-10-01 DOI: 10.1016/j.chmed.2023.12.005
Ru Wang, Jing Hu, Yuanyuan Li, Hong Yin

Objective

To evaluate the efficacy of Compound Danshen Dripping Pills (CDDP) combined with isosorbide mononitrate (ISMN) versus ISMN alone for treating angina pectoris in patients.

Methods

The PubMed, Web of Science, Cochrane Library, Embase China National Knowledge Infrastructure, China Biomedical Literature Service System, Chinese Medical Journal Database, and Wan Fang MED databases were searched from inception to November 2022. Randomized controlled trials (RCTs) and cohort studies were included. The primary outcomes were angina symptom and electrocardiography (ECG) efficacy, angina symptom efficacy, and ECG efficacy. The protocol was registered with PROSPERO No. CRD42022314774.

Results

Our study included 7 245 patients with angina (59 RCTs, 11 cohort studies). When ISMN was combined with CDDP, the efficacy of angina symptom and ECG [odds ratio (OR) = 4.824, 95% confidence interval (CI) = 3.636–6.401, P = 0.000], the efficacy of angina symptom (OR = 4.347, 95% CI = 3.635–5.198, P = 0.000), the efficacy of ECG (OR = 3.364, 95% CI = 2.767–4.089, P = 0.000) were better than that of patients treated with ISMN alone. CDDP combined with ISMN was superior to ISMN alone in reducing triglyceride (TG) [mean difference (MD) =  −35.176, 95% CI =  −37.439 to −32.912, P = 0.000], total cholesterol (TC) (MD =  −24.296, 95% CI =  −26.429 to −22.163, P = 0.000), the duration of angina attack (MD =  −1.991, 95% CI =  −2.349 to −1.633, P = 0.000), and the frequency of angina attack [standardized MD (SMD) =  −2.840, 95% CI =  −3.416 to −2.265, P = 0.000]. There was no increase in adverse events between CDDP combined with ISMN and ISMN alone (OR = 0.513, 95% CI = 0.421–0.626, P = 0.000).

Conclusion

CDDP combined with ISMN improved treatment efficacy and was well tolerated. Therefore, this combination could be used as an alternative treatment. However, clinical and patient conditions should be considered.
目的 评价复方丹参滴丸(CDDP)联合单硝酸异山梨酯(ISMN)与单用单硝酸异山梨酯(ISMN)治疗心绞痛患者的疗效。方法 检索从开始到 2022 年 11 月的 PubMed、Web of Science、Cochrane Library、Embase 中国国家知识基础设施、中国生物医学文献服务系统、中华医学杂志数据库和万方 MED 数据库。研究纳入了随机对照试验(RCT)和队列研究。主要结果为心绞痛症状和心电图疗效、心绞痛症状疗效和心电图疗效。结果我们的研究纳入了 7 245 名心绞痛患者(59 项 RCT,11 项队列研究)。当 ISMN 与 CDDP 联用时,心绞痛症状和心电图的疗效[几率比(OR)= 4.824,95% 置信区间(CI)= 3.636-6.401,P = 0.000],心绞痛症状的疗效(OR = 4.347, 95% CI = 3.635-5.198, P = 0.000)、心电图疗效(OR = 3.364, 95% CI = 2.767-4.089, P = 0.000)均优于单用ISMN治疗的患者。CDDP 联合 ISMN 在降低甘油三酯(TG)[平均差(MD)= -35.176,95% CI = -37.439 至 -32.912,P = 0.000]、总胆固醇(TC)(MD = -24.296,95% CI = -26.429 至 -22.163, P = 0.000)、心绞痛发作持续时间(MD = -1.991, 95% CI = -2.349 to -1.633, P = 0.000)和心绞痛发作频率[标准化 MD (SMD) = -2.840, 95% CI = -3.416 to -2.265, P = 0.000]。CDDP联合ISMN与单独使用ISMN相比,不良反应没有增加(OR = 0.513,95% CI = 0.421-0.626,P = 0.000)。因此,这种联合疗法可作为一种替代疗法。结论 CDDP 联合 ISMN 可提高疗效,且耐受性良好。
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引用次数: 0
Research progress on chemical diversity of saponins in Panax ginseng 三七皂苷化学多样性的研究进展
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2024-10-01 DOI: 10.1016/j.chmed.2024.08.005
Xiaoyu Geng , Jia Wang , Yuwei Liu , Linxuan Liu , Xuekun Liu , Yan Zhao , Cuizhu Wang , Jinping Liu
Saponins, the major bioactive components of Panax ginseng C. A. Mey., are gradually emerging as research hotspots owing to the possession of various pharmacological activities. This review updates the ginsenosides list from P. ginseng and the steam-processed ginseng (red ginseng and black ginseng) up to 271 by June of 2024, encompassing 243 saponins from different parts of P. ginseng (roots, stems, leaves, flowers, berries, and seeds), 103 from red ginseng, and 65 from black ginseng, respectively. Among 271 saponins, there are a total of 249 (1249) dammarane type (with az subtypes) tetracyclic triterpene saponins reported from each part of P. ginseng and steam-processed ginseng, two (250251) lanostane type tetracyclic triterpene saponins identified from red ginseng, 18 (252269) oleanane type pentacyclic triterpenoid saponins discovered from each part of P. ginseng and steam-processed ginseng, and two (270271) ursane type pentacyclic triterpenoid saponins reported from red ginseng. Overall, this review expounds on the chemical diversity of ginsenosides in various aspects, such as chemical structure, spatial distribution and subtype comparison, processed products, and transformation. This facilitates more in-depth research on ginsenosides and contributes to the future development of ginseng.
人参皂苷作为人参的主要生物活性成分,因具有多种药理活性而逐渐成为研究热点。本综述更新了人参和蒸汽加工人参(红参和黑参)的人参皂苷列表,到 2024 年 6 月,人参和蒸汽加工人参(红参和黑参)的人参皂苷列表已增至 271 种,包括人参不同部位(根、茎、叶、花、浆果和种子)的 243 种皂苷、红参的 103 种皂苷、黑参的 65 种皂苷。在 271 种皂甙中,人参各部位和蒸煮人参的四环三萜皂甙共有 249 种(1-249 种)达玛烷型(含 a-z 亚型)。从人参的各个部位和蒸汽加工的人参中发现了 18 种(252-269)齐墩果烷型五环三萜皂甙,从红参中发现了 2 种(250-251)羊毛甾烷型四环三萜皂甙,从人参的各个部位和蒸汽加工的人参中发现了 18 种(252-269)齐墩果烷型五环三萜皂甙,从红参中发现了 2 种(270-271)乌苏烷型五环三萜皂甙。总之,本综述从化学结构、空间分布和亚型比较、加工产品和转化等多个方面阐述了人参皂苷的化学多样性。这有助于对人参皂苷进行更深入的研究,并为人参的未来发展做出贡献。
{"title":"Research progress on chemical diversity of saponins in Panax ginseng","authors":"Xiaoyu Geng ,&nbsp;Jia Wang ,&nbsp;Yuwei Liu ,&nbsp;Linxuan Liu ,&nbsp;Xuekun Liu ,&nbsp;Yan Zhao ,&nbsp;Cuizhu Wang ,&nbsp;Jinping Liu","doi":"10.1016/j.chmed.2024.08.005","DOIUrl":"10.1016/j.chmed.2024.08.005","url":null,"abstract":"<div><div>Saponins, the major bioactive components of <em>Panax ginseng</em> C. A. Mey., are gradually emerging as research hotspots owing to the possession of various pharmacological activities. This review updates the ginsenosides list from <em>P. ginseng</em> and the steam-processed ginseng (red ginseng and black ginseng) up to 271 by June of 2024, encompassing 243 saponins from different parts of <em>P. ginseng</em> (roots, stems, leaves, flowers, berries, and seeds), 103 from red ginseng, and 65 from black ginseng, respectively. Among 271 saponins, there are a total of 249 (<strong>1</strong>–<strong>249</strong>) dammarane type (with <strong><em>a</em></strong>–<strong><em>z</em></strong> subtypes) tetracyclic triterpene saponins reported from each part of <em>P. ginseng</em> and steam-processed ginseng, two (<strong>250</strong>–<strong>251</strong>) lanostane type tetracyclic triterpene saponins identified from red ginseng, 18 (<strong>252</strong>–<strong>269</strong>) oleanane type pentacyclic triterpenoid saponins discovered from each part of <em>P. ginseng</em> and steam-processed ginseng, and two (<strong>270</strong>–<strong>271</strong>) ursane type pentacyclic triterpenoid saponins reported from red ginseng. Overall, this review expounds on the chemical diversity of ginsenosides in various aspects, such as chemical structure, spatial distribution and subtype comparison, processed products, and transformation. This facilitates more in-depth research on ginsenosides and contributes to the future development of ginseng.</div></div>","PeriodicalId":9916,"journal":{"name":"Chinese Herbal Medicines","volume":"16 4","pages":"Pages 529-547"},"PeriodicalIF":4.7,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651774","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effects of steaming process on rare saponins and efficacy of Panax ginseng, Panax notoginseng and Panax quinquefolium 蒸煮过程对人参、三七和三七稀有皂苷和功效的影响
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2024-10-01 DOI: 10.1016/j.chmed.2024.07.003
Wenjie Zhao , Linlin Han , Tao Li, Jungjoon Lee, Yuqing Zhao
The steamed Panax ginseng C. A. Mey., Panax notoginseng (Burk.) F. H. Chen, and Panax quinquefolium L. not only facilitate storage, but also increase the content of rare saponins and enhance their clinical application value. The traditional steaming process has high energy consumption, low efficiency, and lacks standardized operating procedures and unified standards. This paper retrieves the research literature on the steaming process parameters, rare saponin increments, and efficacy enhancement results of ginseng plants. By summarizing the effects of different steaming processes on rare saponins and pharmacodynamics in P. ginseng, P. notoginseng and P. quinquefolium, we explored new steaming methods and established a new quality evaluation system to provide guarantee for the effectiveness and safety of clinical medication and provide scientific basis for its rational use.
蒸制人参、三七、五加皮不仅便于储存,还能增加稀有皂苷的含量,提高临床应用价值。传统的蒸煮工艺能耗高、效率低,缺乏规范的操作程序和统一的标准。本文检索了有关人参蒸制工艺参数、稀有皂苷增量和药效增强结果的研究文献。通过总结不同蒸制工艺对人参、田七和五加皮稀有皂苷和药效学的影响,探索新的蒸制方法,建立新的质量评价体系,为临床用药的有效性和安全性提供保障,为合理用药提供科学依据。
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引用次数: 0
Treatment of constipation with Aloe and its compatibility prescriptions 芦荟治疗便秘及其配伍处方
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2024-10-01 DOI: 10.1016/j.chmed.2024.07.005
Xianhui Shen , Liping Gong , Rongrong Li , Nana Huang , Huijie Zhang , Siyi Chen , Ying Liu , Rong Sun
Constipation is a common and prevalent digestive system disease in clinical practice, which seriously affects human physical and mental health. Currently, chemical drugs have good short-term therapeutic effects. However, because of their adverse reactions, easy recurrence after drug discontinuation, and dependence with long-term use, the long-term efficacy is unsatisfactory. The pathogenesis of constipation is mainly attributed to dysfunction of zang-fu organs and imbalance of qi-blood and yin-yang, with the syndrome being asthenia in origin and asthenia in superficiality. Aloe is a traditional Chinese medicine with cold properties and a bitter taste, and one of the most commonly used herbs for constipation. Based on Aloe and its monomer components, combined with the existing compatibility studies of Aloe and several Chinese patent drugs represented by Aloe, this paper comprehensively and systematically introduced the research progress of Aloe and its compatibility prescriptions in the treatment of constipation from basic experiments to clinical observations, providing theoretical basis and medication guidance for the clinical rational application of Aloe and its prescriptions in the treatment of constipation. At the same time, it also provides the direction for future research on the mechanism of Aloe in the treatment of constipation.
便秘是临床上常见、多发的消化系统疾病,严重影响着人类的身心健康。目前,化学药物具有良好的短期治疗效果。但由于其不良反应大、停药后易复发、长期服用有依赖性等特点,长期疗效并不理想。便秘的发病机理主要是脏腑功能失调,气血阴阳失衡,证属虚中夹实,实中夹虚。芦荟是一味中药,性寒味苦,是治疗便秘最常用的药材之一。本文以芦荟及其单体成分为基础,结合已有的芦荟与以芦荟为代表的几种中成药的配伍研究,从基础实验到临床观察,全面系统地介绍了芦荟及其配伍方剂在治疗便秘方面的研究进展,为临床合理应用芦荟及其方剂治疗便秘提供理论依据和用药指导。同时,也为今后芦荟治疗便秘的机理研究提供了方向。
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引用次数: 0
Network pharmacology for traditional Chinese medicine in era of artificial intelligence 人工智能时代的中药网络药理学
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2024-10-01 DOI: 10.1016/j.chmed.2024.08.004
Weibo Zhao, Boyang Wang, Shao Li

Abstract

Traditional Chinese Medicine Network Pharmacology (TCM-NP) is an interdisciplinary discipline that integrates information science, systems biology, network science and pharmacology, providing a systematic research methodology for TCM studies. With the development of artificial intelligence (AI) and multi-omics technologies, TCM-NP has entered a new era and can incorporate multimodal and high-dimensional data in the context of big data to enhance both theoretical foundations and technical capabilities. Despite its advancement, TCM-NP still faces challenges, particularly in ensuring the quality of data and research, as well as achieving more profound scientific discoveries. The field needs further innovation to obtain more precise and biomedically meaningful results. Overall research progress in TCM-NP depends on developing more accurate algorithms together with utilizing higher-quality and larger-scale data. This paper gives a perspective on the trends and characteristics of TCM-NP development and application in the era of AI.
摘要中药网络药理学(TCM-NP)是一门集信息科学、系统生物学、网络科学和药理学于一体的交叉学科,为中药研究提供了系统的研究方法。随着人工智能(AI)和多组学技术的发展,中医药网络药理学进入了一个新的时代,可以在大数据背景下纳入多模态和高维数据,提升理论基础和技术能力。尽管取得了进步,但中医药新药研究仍面临挑战,尤其是在确保数据和研究质量以及实现更深层次的科学发现方面。该领域需要进一步创新,以获得更精确、更有生物医学意义的结果。中医药基因组学的整体研究进展取决于开发更精确的算法以及利用更高质量和更大规模的数据。本文透视了人工智能时代中医药 NP 发展与应用的趋势和特点。
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引用次数: 0
Integrating tradition and innovation: Health industry opportunities for ginseng with foods and medicines 传统与创新相结合:人参与食品和药品的健康产业机遇
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2024-10-01 DOI: 10.1016/j.chmed.2024.09.007
Wei Li
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引用次数: 0
Deciphering relationship between depression and microbial molecules based on multi-omics: A case study of Chaigui Granules 基于多组学破译抑郁症与微生物分子之间的关系:柴桂颗粒的案例研究
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2024-10-01 DOI: 10.1016/j.chmed.2023.12.003
Qi Wang , Yingxia Zhao , Xuemei Qin , Junsheng Tian

Objective

To decipher the antidepression effect of Chaigui Granules (CGKL) from the relationship between depression and microbial molecules based on multi-omics.

Methods

Male SD rats were subjected to chronic unpredictable mild stress (CUMS) for seven weeks. The antidepressants CGKL extract and CGKL were administered for the following four weeks. The behavior test and the content of monoamine neurotransmitters were used to evaluate the efficacy of CGKL. The 16S rRNA sequencing, LC-MS technology and molecular biological techniques were used to explore the pharmacological mechanism of CGKL.

Results

CGKL treatment obviously alleviated the depressive behavioral indicators and regulated the content of monoamine neurotransmitters, and presented dose-dependent manner. CGKL could also improve the arginine metabolism disorder of gut microbiota in the jejunum. Meanwhile, the contents of arginine and its metabolites in the serum and hippocampus were regulated to normal levels. Further investigation indicated that the expression of related rate-limiting enzyme genes and proteins in the hippocampus was validated by qRT-PCR and Western blotting. The results showed that the gut microbiota, metabolites, and genes or proteins of rate-limiting enzymes involved in the arginine pathway were significantly regulated by CGKL.

Conclusion

The present study demonstrates that CGKL might exert antidepressant effects through regulating arginine metabolism, and its mechanism may be related to modulating the gut microbiota and related metabolic enzyme.
方法对雄性SD大鼠进行为期7周的慢性不可预知的轻度应激(CUMS)。对雄性 SD 大鼠进行为期七周的慢性不可预知轻度应激反应(CUMS),并在随后的四周内服用抗抑郁药物 CGKL 提取物和 CGKL。通过行为测试和单胺神经递质含量来评估 CGKL 的疗效。结果 CGKL能明显缓解抑郁行为指标,调节单胺神经递质含量,并呈剂量依赖性。CGKL还能改善空肠中肠道微生物群的精氨酸代谢紊乱。同时,精氨酸及其代谢产物在血清和海马中的含量也被调节至正常水平。进一步的研究表明,海马中相关限速酶基因和蛋白质的表达通过 qRT-PCR 和 Western 印迹得到了验证。结论本研究表明,CGKL 可通过调节精氨酸代谢发挥抗抑郁作用,其机制可能与调节肠道微生物群和相关代谢酶有关。
{"title":"Deciphering relationship between depression and microbial molecules based on multi-omics: A case study of Chaigui Granules","authors":"Qi Wang ,&nbsp;Yingxia Zhao ,&nbsp;Xuemei Qin ,&nbsp;Junsheng Tian","doi":"10.1016/j.chmed.2023.12.003","DOIUrl":"10.1016/j.chmed.2023.12.003","url":null,"abstract":"<div><h3>Objective</h3><div>To decipher the antidepression effect of Chaigui Granules (CGKL) from the relationship between depression and microbial molecules based on multi-omics.</div></div><div><h3>Methods</h3><div>Male SD rats were subjected to chronic unpredictable mild stress (CUMS) for seven weeks. The antidepressants CGKL extract and CGKL were administered for the following four weeks. The behavior test and the content of monoamine neurotransmitters were used to evaluate the efficacy of CGKL. The 16S rRNA sequencing, LC-MS technology and molecular biological techniques were used to explore the pharmacological mechanism of CGKL.</div></div><div><h3>Results</h3><div>CGKL treatment obviously alleviated the depressive behavioral indicators and regulated the content of monoamine neurotransmitters, and presented dose-dependent manner. CGKL could also improve the arginine metabolism disorder of gut microbiota in the jejunum. Meanwhile, the contents of arginine and its metabolites in the serum and hippocampus were regulated to normal levels. Further investigation indicated that the expression of related rate-limiting enzyme genes and proteins in the hippocampus was validated by qRT-PCR and Western blotting. The results showed that the gut microbiota, metabolites, and genes or proteins of rate-limiting enzymes involved in the arginine pathway were significantly regulated by CGKL.</div></div><div><h3>Conclusion</h3><div>The present study demonstrates that CGKL might exert antidepressant effects through regulating arginine metabolism, and its mechanism may be related to modulating the gut microbiota and related metabolic enzyme.</div></div>","PeriodicalId":9916,"journal":{"name":"Chinese Herbal Medicines","volume":"16 4","pages":"Pages 612-621"},"PeriodicalIF":4.7,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140470021","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Exploration of compatibility rules and discovery of active ingredients in TCM formulas by network pharmacology 利用网络药理学探索中药配方的相容性规则并发现其中的有效成分
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2024-10-01 DOI: 10.1016/j.chmed.2023.09.008
Yishu Liu , Xue Li , Chao Chen , Nan Ding , Shiyu Ma , Ming Yang
Network pharmacology is an interdisciplinary field that utilizes computer science, technology, and biological networks to investigate the intricate interplay among compounds/ingredients, targets, and diseases. Within the realm of traditional Chinese medicine (TCM), network pharmacology serves as a scientific approach to elucidate the compatibility relationships and underlying mechanisms of action in TCM formulas. It facilitates the identification of potential active ingredients within these formulas, providing a comprehensive understanding of their holistic and systematic nature, which aligns with the holistic principles inherent in TCM theory. TCM formulas exhibit complexity due to their multi-component characteristic, involving diverse targets and pathways. Consequently, investigating their material basis and mechanisms becomes challenging. Network pharmacology has emerged as a valuable approach in TCM formula research, leveraging its holistic and systematic advantages. The manuscript aims to provide an overview of the application of network pharmacology in studying TCM formula compatibility rules and explore future research directions. Specifically, we focus on how network pharmacology aids in interpreting TCM pharmacological theories and understanding formula compositions. Additionally, we elucidate the process of utilizing network pharmacology to identify active ingredients within TCM formulas. These findings not only offer novel research models and perspectives for integrating network pharmacology with TCM theory but also present new methodologies for investigating TCM formula compatibility. All in all, network pharmacology has become an indispensable and crucial tool in advancing TCM formula research.
网络药理学是一个跨学科领域,它利用计算机科学、技术和生物网络来研究化合物/成分、靶点和疾病之间错综复杂的相互作用。在传统中药领域,网络药理学是阐明中药配方中配伍关系和潜在作用机制的科学方法。网络药理学有助于识别中药配方中的潜在活性成分,全面了解中药配方的整体性和系统性,这与中医理论固有的整体性原则相一致。中药配方因其多组分特征而呈现出复杂性,涉及不同的靶点和途径。因此,研究其物质基础和机理具有挑战性。网络药理学利用其整体性和系统性的优势,已成为中药方剂研究的重要方法。本稿旨在概述网络药理学在研究中药配方相克规律中的应用,并探讨未来的研究方向。具体而言,我们重点探讨了网络药理学如何帮助解释中医药理理论和理解方剂组成。此外,我们还阐明了利用网络药理学识别中药配方中有效成分的过程。这些发现不仅为网络药理学与中医理论的结合提供了新的研究模式和视角,也为研究中药配方的兼容性提供了新的方法。总之,网络药理学已成为推动中药配方研究不可或缺的重要工具。
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Chinese Herbal Medicines
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