Journal of Traditional and Complementary Medicine最新文献_第4页

Unveiling pharmacological targets of Rihimaside C for radiation-induced lung injury: An in silico and experimental integrated approach 揭示rihimside C对辐射性肺损伤的药理学靶点：一种计算机与实验相结合的方法

IF 3.3 3区医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE

Journal of Traditional and Complementary Medicine

Pub Date : 2025-05-01 DOI: 10.1016/j.jtcme.2024.05.009

Youyi Liu , Jingrou Guo , Chuang Liu , Xingyi Chen , Yifei Tang , Minchen Wu , Jianfeng Huang

Background and aim

Radiation-induced lung injury (RILI) is a common complication during caner radiotherapy, mainly characterized by oxidative stress and inflammation. Rihimaside C, a novel dihydroflavonol compound isolated from Ribes himalense, exhibits significant anti-inflammatory and antioxidant properties. The study aims to investigate the therapeutic efficacy of Rihimaside C in treating RILI, as well as to uncover the potential targets and mechanisms involved.

Experimental procedure

Animal experiments were performed to evaluate the pharmacological efficacy of Rihimaside C for RILI. A computer-based strategy was employed to retrieve and screen potential targets for the therapy of Rihimaside C against RILI. STRING, DAVID databases, and Cytoscape software were utilized to construct a protein-protein interaction network and identify hub targets. Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analyses were conducted to illuminate the underlying mechanisms. Molecular docking and Cellular Thermal Shift Assay (CETSA) were performed to further validate the hub targets.

Results and conclusion

The results of animal experiments showed that Rihimaside C effectively alleviated RILI. Four hub targets (TNF, HSP90AA1, ESR1 and HIF1A) among the 72 possible targets of Rihimaside C involved in the treatment of RILI were finally identified through network pharmacology, which were enriched in MAPK, IL-17, and PI3K/Akt signaling pathways. Molecular docking and CETSA analyses indicated that HSP90AA1 displayed highest binding affinity with Rihimaside C. This study investigated the therapeutic effects of Rihimaside C on RILI and identified potential targets, providing a novel strategy in treating RILI.

背景与目的放射性肺损伤（RILI）是癌症放疗过程中常见的并发症，主要表现为氧化应激和炎症反应。Rihimaside C是一种从喜马拉雅梨中分离得到的新型二氢黄酮醇化合物，具有显著的抗炎和抗氧化作用。本研究旨在探讨Rihimaside C治疗RILI的疗效，并揭示其潜在的靶点和机制。实验方法：采用动物实验评价利希美赛C对RILI的药理作用。采用计算机为基础的策略来检索和筛选Rihimaside C治疗RILI的潜在靶点。利用STRING、DAVID数据库和Cytoscape软件构建蛋白相互作用网络并鉴定枢纽靶点。通过基因本体和京都基因与基因组百科全书的富集分析来阐明其潜在的机制。进行分子对接和细胞热移实验（CETSA）进一步验证枢纽靶点。结果与结论动物实验结果表明，利希曼苷C能有效缓解RILI。通过网络药理学最终确定了Rihimaside C参与RILI治疗的72个可能靶点中的4个枢纽靶点（TNF、HSP90AA1、ESR1和HIF1A），它们富集于MAPK、IL-17和PI3K/Akt信号通路中。分子对接和CETSA分析表明，HSP90AA1与Rihimaside C的结合亲和力最高。本研究探讨了Rihimaside C对RILI的治疗作用，并确定了潜在靶点，为RILI的治疗提供了新的策略。

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引用次数: 0

A review of recent artificial intelligence for traditional medicine 人工智能在传统医学中的应用综述

IF 3.3 3区医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE

Journal of Traditional and Complementary Medicine

Pub Date : 2025-05-01 DOI: 10.1016/j.jtcme.2025.02.009

Chengbin Hou , Yanzhuo Gao , Xinyu Lin , Jinchao Wu , Ning Li , Hairong Lv , William Cheng-Chung Chu

Traditional Medicine (TM) has played a crucial role in global healthcare due to its long history and holistic approach. Artificial Intelligence (AI) has emerged as a revolutionary technology, offering exceptional capabilities in areas such as data mining, pattern recognition, and decision-making. The integration of Artificial Intelligence for Traditional Medicine (AITM) presents a promising frontier in advancing medicine and healthcare. In this review, we explore AITM from two perspectives: recent AI techniques and TM applications. Specifically, we investigate how Machine Learning, Deep Learning, and Large Language Models are applied to TM, covering applications such as diagnosis (before, during, after) and research (drug research, structured knowledge, data analysis). By leveraging advanced algorithms and models, AI can improve decision-making efficiency, optimize diagnosis accuracy, enhance patient experience, and reduce costs. We anticipate this review can bridge the gap between AI and TM communities. And the goal is to foster collaboration and innovation between both communities, enabling them to exploit the state-of-the-art AI techniques to advance TM diagnosis and research, ultimately contributing to the enhancement of human health.

传统医学（TM）由于其悠久的历史和整体方法，在全球医疗保健中发挥了至关重要的作用。人工智能（AI）已经成为一项革命性的技术，在数据挖掘、模式识别和决策等领域提供了卓越的能力。传统医学人工智能（AITM）的集成为推进医学和医疗保健提供了一个有前途的前沿。在这篇综述中，我们从两个角度探讨了人工智能技术：最新的人工智能技术和人工智能的应用。具体来说，我们研究了机器学习、深度学习和大型语言模型如何应用于TM，涵盖了诊断（之前、期间、之后）和研究（药物研究、结构化知识、数据分析）等应用。通过利用先进的算法和模型，人工智能可以提高决策效率，优化诊断准确性，增强患者体验，降低成本。我们希望这次审查可以弥合人工智能和TM社区之间的差距。我们的目标是促进双方之间的合作和创新，使他们能够利用最先进的人工智能技术来推进TM诊断和研究，最终为增进人类健康做出贡献。

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引用次数: 0

Integrated serum pharmacochemistry and network pharmacology to reveal the kernel material basis and underlying mechanisms of the fuzi-lizhong pill for ulcerative colitis 综合血清药理药化和网络药理学揭示夫子理中丸治疗溃疡性结肠炎的内核物质基础和内在机制

IF 3.3 3区医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE

Journal of Traditional and Complementary Medicine

Pub Date : 2025-05-01 DOI: 10.1016/j.jtcme.2024.06.003

You Huang , Xia Lin , Qiuhong Wu , XunJian Wu , Shasha Yang , Yidian Dong , Chaomei Fu , Wei Lin , Zhen Zhang

Background

In traditional Chinese medicine, Fuzi-Lizhong pill (FLZP) has been used for millennia as a treatment for the Spleen-Kidney-Yang-deficiency (SKYD) diseases. FLZP has increasingly been employed in the clinic as a therapeutic option for ulcerative colitis with SKYD syndrome (SKYD-UC). In the present study, we revealed the kernel material basis and underlying mechanisms of the FLZP for treating SKYD-UC.

Methods and results

The therapeutic effects of FLZP were assessed in SKYD-UC rats. In total, 55 absorbed components of FLZP were identified, thus forming the main material basis for the use of FLZP for treating SKYD-UC. Network pharmacology analyses revealed that the ability of FLZP to exert multi-target synergistic activity was found to be related to both antioxidant and anti-inflammatory activity. More specifically, FLZP was suggested to alleviate SKYD-UC through the regulation of targets associated with inflammation such as interleukin-6 (IL-6), myeloperoxidase (MPO), and tumor necrosis factor-α (TNF-α), while also regulating the mitogen-activated protein kinase (MAPK), TNF, and phosphoinositol-3 kinase-RAC-alpha serine/threonine-protein kinase (PI3K-Akt) pathways. Ultimately, the integration of network analyses, molecular docking studies, and Pearson correlation analyses enabled the identification of 9 core compounds (including linolenic acid, liquirtigenin, 7-hydroxycoumarin, glycyrrhizic acid, 6-shogaol, dehydro-10-gingerdione, caffeic acid, 6-gingerol, liquiritin), which can serve as kernel material basis for FLZP in the treatment of SKYD-UC.

Conclusion

Together, these findings offer a valuable foundation for additional research focused on the mechanistic effects and broader clinical application of FLZP as a treatment option for SKYD-UC.

在中医中，附子理中丸（FLZP）被用于治疗脾肾阳虚（SKYD）疾病已有几千年的历史。FLZP越来越多地被用于临床治疗溃疡性结肠炎伴SKYD综合征（SKYD- uc）。在本研究中，我们揭示了FLZP治疗SKYD-UC的核心物质基础和潜在机制。方法与结果观察FLZP对SKYD-UC大鼠的治疗作用。共鉴定出55种FLZP的吸收组分，为使用FLZP治疗SKYD-UC提供了主要的物质基础。网络药理学分析表明，FLZP发挥多靶点协同作用的能力与抗氧化和抗炎活性有关。更具体地说，FLZP通过调节与炎症相关的靶标，如白细胞介素-6 （IL-6）、髓过氧化物酶（MPO）和肿瘤坏死因子-α (TNF-α)，同时调节丝裂原活化蛋白激酶（MAPK）、TNF和磷酸肌醇-3激酶-α -α丝氨酸/苏氨酸-蛋白激酶（PI3K-Akt）通路，来缓解SKYD-UC。最终，结合网络分析、分子对接研究和Pearson相关分析，鉴定出9个核心化合物（包括亚麻酸、甘草素、7-羟基香豆素、甘草酸、6-shogaol、脱氢-10-姜二酮、咖啡酸、6-姜酚、甘草素），可作为FLZP治疗SKYD-UC的核心物质基础。总之，这些发现为进一步研究FLZP作为SKYD-UC治疗方案的机制作用和更广泛的临床应用提供了有价值的基础。

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引用次数: 0

Network pharmacology approach and experimental verification of earthworm protein in the treatment of diabetes mellitus-induced erectile dysfunction 蚯蚓蛋白治疗糖尿病引起的勃起功能障碍的网络药理学方法和实验验证

IF 3.3 3区医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE

Journal of Traditional and Complementary Medicine

Pub Date : 2025-05-01 DOI: 10.1016/j.jtcme.2024.06.002

Liming Liu , Yuanfeng Zhang , Aiping Zhang , Rui Yan , Xiaowei Ji , Jiashu Yang , Xinping Wang , Yongze Gao , Xiping Xing

Background

Diabetes mellitus-induced erectile dysfunction (DMED) is a common complication of diabetes mellitus. Earthworm protein (EWP) is an active protein extracted from the Chinese herbal medicine earthworm, which is used in clinical practice for treating DMED.

Objective

To investigate the mechanism of action of EWP in improving DMED in rats using network pharmacology and in vivo experimental validation.

Materials and methods

Network pharmacology predicts key targets. After identifying the DMED targets of EWP, a protein-protein interaction network was constructed using the STRING platform. The target genes were then enriched using Gene Ontology and the Kyoto Encyclopedia of Genes and Genomes. A “drug-component-disease-target-pathway” network map with Cytoscape 3.9.1 software was constructed. The nuclear factor-kappa B (NF-κB) signaling pathway was selected for further in vivo experimental validation in rats.

Results

EWP was mainly involved in the inflammatory response and NF-κB signaling pathway to regulate DMED. In vivo experiments showed that EWP was able to reduce Interleukin-1β, Interleukin-6 and Tumour Necrosis Factor-α levels, significantly inhibit NF-κB, nuclear factor-κB inhibitor protein α and mRNA expression, increase serum testosterone (T), and improve the erectile function of DMED rats.

Conclusion

EWP improves erectile function in DMED rats. This mechanism may be related to the inhibition of the NF-κB signaling pathway, reduction of the inflammatory response in testicular tissue, promotion of testicular and penile tissue repair, and increase in serum T levels.

背景：糖尿病性勃起功能障碍（DMED）是糖尿病的常见并发症。蚯蚓蛋白（Earthworm protein， EWP）是从中草药蚯蚓中提取的一种活性蛋白，用于临床治疗DMED。目的通过网络药理学和体内实验验证，探讨EWP改善大鼠DMED的作用机制。材料与方法网络药理学预测关键靶点。在确定EWP的DMED靶点后，利用STRING平台构建蛋白-蛋白相互作用网络。然后利用基因本体和京都基因与基因组百科全书对目标基因进行富集。利用Cytoscape 3.9.1软件构建“药物-成分-疾病-靶标-通路”网络图谱。选择核因子κB （NF-κB）信号通路在大鼠体内进一步进行实验验证。结果twp主要参与炎症反应和NF-κB信号通路调节DMED。体内实验表明，EWP能降低DMED大鼠白细胞介素-1β、白细胞介素-6和肿瘤坏死因子-α水平，显著抑制NF-κB、核因子-κB抑制剂蛋白α和mRNA表达，升高血清睾酮(T)，改善勃起功能。结论ewp可改善DMED大鼠勃起功能。其机制可能与抑制NF-κB信号通路，降低睾丸组织炎症反应，促进睾丸和阴茎组织修复，提高血清T水平有关。

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引用次数: 0

Astragalus mongholicus polysaccharides alleviate insulin resistance through modulation of PI3K/AKT, TLR4/NF-kB signaling pathway and microbiota in rats with Type 2 Diabetes Mellitus 黄芪多糖通过调节 PI3K/AKT、TLR4/NF-kB 信号通路和微生物群减轻 2 型糖尿病大鼠的胰岛素抵抗

IF 3.3 3区医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE

Journal of Traditional and Complementary Medicine

Pub Date : 2025-05-01 DOI: 10.1016/j.jtcme.2024.05.007

Haisheng Yuan , Guoquan Xu , Jingran Liu , Yan Yan , Shimin Zhao , Fujuan Cai , Xiuling Yu , Yuzhen Wang , Minhui Li

Background and aim

Astragali Radix has been widely used in traditional Chinese medicine to treat diabetes and a variety of other diseases. This study aims to evaluate the alleviating effects and mechanisms of Astragalus mongholicus Polysaccharide (mAPS) against diet combined with streptozotocin (STZ)-induced Type 2 Diabetes Mellitus (T2DM).

Experimental procedure

T2DM rats were orally administrated either with 200 mg/kg mAPS or 300 mg/kg Metformin (MET) once daily for four weeks. Body weight and Fasting Blood Glucose (FBG) were detected every 6 days. Serum fasting insulin (FINS) was measured by ELISA and the homeostatic model assessment of insulin resistance (HOMA-IR) was calculated accordingly. Histological change was studied by Hematoxylin and eosin (HE) staining. 16S rDNA sequencing was used to detect the changes in gut microbiota.

Results and conclusion

Oral administration of mAPS significantly decreased body weight, FBG, and HOMA-IR in T2DM rats (p＜0.05). Moreover, HE staining showed that mAPS could alleviate histological distortion in the liver and pancreas. Treatment with mAPS elevated the hepatic levels of phosphatidylinositol-3 kinase (PI3K), phospho-protein kinase B (AKT), and glucose transporter type 4 (GLUT4), while reducing phospho-nuclear factor kappa-B (NF-κB), Toll-like receptor 4 (TLR4), tumor necrosis factor-α (TNF-α), interleukin-6 (IL-6), and interleukin-1β (IL-1β) (p＜0.05). Furthermore, mAPS supplementation could reverse the ratio of Firmicutes/Bacteroidetes (F/B) and reduce the abundance of Clostridia and Proteobacteria (p＜0.05). These results indicate that mAPS have the potential to enhance insulin sensitivity in diabetic rats by modifying gut microbiota and controlling the hepatic glycolipid metabolism and inflammation.

背景与目的黄芪在中药中被广泛用于治疗糖尿病和其他多种疾病。本研究旨在探讨黄芪多糖（mAPS）对日粮联合链脲佐菌素（STZ）诱导的2型糖尿病（T2DM）的缓解作用及其机制。实验方法2dm大鼠分别口服map 200 mg/kg或Metformin 300 mg/kg，每日1次，连续4周。每6 d检测一次体重和空腹血糖（FBG）。ELISA法测定血清空腹胰岛素（FINS），计算胰岛素抵抗稳态模型评估（HOMA-IR）。苏木精和伊红（HE）染色观察组织学变化。采用16S rDNA测序检测肠道菌群的变化。结果与结论口服mAPS可显著降低T2DM大鼠体重、FBG、HOMA-IR （p<0.05）。此外，HE染色显示mAPS能减轻肝脏和胰腺的组织学扭曲。map可提高肝脏磷脂酰肌醇-3激酶（PI3K）、磷酸化蛋白激酶B （AKT）和葡萄糖转运蛋白4型（GLUT4）水平，降低磷酸化核因子κB （NF-κB）、toll样受体4 （TLR4）、肿瘤坏死因子-α (TNF-α)、白细胞介素-6 （IL-6）和白细胞介素-1β (IL-1β)水平（p<0.05）。此外，添加mAPS可以逆转厚壁菌门/拟杆菌门（F/B）的比例，降低梭菌门和变形杆菌门的丰度（p<0.05）。这些结果表明，mAPS可能通过改变肠道菌群和控制肝脏糖脂代谢和炎症来增强糖尿病大鼠的胰岛素敏感性。

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引用次数: 0

Integrating pharmacokinetics and network pharmacology to decipher the efficacy of Fufang Qinlan oral liquid on post infectious cough 整合药代动力学和网络药理学，解读扶芳沁兰口服液对感染后咳嗽的疗效

IF 3.3 3区医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE

Journal of Traditional and Complementary Medicine

Pub Date : 2025-05-01 DOI: 10.1016/j.jtcme.2024.04.006

Leyi Huang , Yangyang Wang , Xinyi Yue , Fangfang Yu , Tong Wu , Yimeng Ge , Chunmiao Wang , Meihong Tong

Background and aim

Fufang Qinlan oral liquid (QLOL) is a traditional Chinese medicine formula used to treat fevers, sore throats and cough. This study was to evaluate QLOL's therapeutic effects on post infectious cough (PIC) and to investigate Q-markers and action mechanisms by integrating pharmacokinetics and network pharmacology.

Materials and methods

PIC rats were measured for cough frequency, organ index, pathological section of lung and inflammatory factors to evaluate the effects of QLOL. Pharmacokinetic analyses were performed using HPLC-QQQ-MS/MS to explore the possible Q-markers of QLOL and the changes of them in vivo. Network pharmacology was used to obtain potential important targets and action mechanisms of treating PIC. The possible hub genes were evaluated using QPCR.

Results

The symptoms of cough and lung injury were significantly alleviated and IL-6 and IL-1β were significantly decreased after treatment of QLOL. 6 compounds were considered as possible Q-makers and their pharmacokinetic parameters were analyzed. The compound-target network was constructed to identify 53 important targets. Among them, HSPA8, HSP90AA1, HSP90AB1, YWHAZ, EGFR, ESR1 and EP300 were selected as the core targets because of high degree value and direct connection with inflammation or microbial infection. All 6 compounds had potently binding activity to core targets in molecular docking. The QPCR results showed the up-regulation of core targets expression in QLOL group compared with PIC rats, which validated the effects of QLOL and the accuracy of Q-markers selection.

Conclusion

QLOL alleviated PIC symptoms through various targets and mechanisms. The potential Q-markers were baicalein, baicalin, oroxylin A-7-O-glucuronideloside, wogonoside, oroxylin A and forsythoside E.

Taxonomy (classification by evise)

the experimental approach.

背景与目的复方芩兰口服液（QLOL）是一种治疗发热、喉咙痛、咳嗽的中药方剂。本研究旨在结合药代动力学和网络药理学方法，评价清汤寡糖对感染性咳嗽（PIC）的治疗作用，探讨清汤寡糖的q标记物及其作用机制。材料与方法通过对spic大鼠咳嗽频次、脏器指数、肺病理切片及炎症因子的测定，评价QLOL的作用。采用HPLC-QQQ-MS/MS进行药动学分析，探讨QLOL可能的q -marker及其在体内的变化。利用网络药理学方法获得治疗PIC的潜在重要靶点和作用机制。采用QPCR方法对可能的枢纽基因进行鉴定。结果QLOL治疗后咳嗽、肺损伤症状明显减轻，IL-6、IL-1β水平明显降低。考虑6种可能的q -maker化合物，并分析其药动学参数。构建复合靶点网络，确定53个重要靶点。其中，HSPA8、HSP90AA1、HSP90AB1、YWHAZ、EGFR、ESR1和EP300因其高度值高且与炎症或微生物感染直接相关而被选为核心靶点。在分子对接过程中，6种化合物均与核心靶点具有较强的结合活性。QPCR结果显示，与PIC大鼠相比，QLOL组核心靶点表达上调，验证了QLOL的作用和q标记选择的准确性。结论qlol可通过多种靶点和机制缓解PIC症状。潜在的q标记为黄芩素、黄芩苷、oroxlin A-7- o -葡糖醛酸苷、木犀草苷、oroxlin A和连叶合苷e。

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引用次数: 0

Himatanthus bracteatus stem bark ethanolic extract obtained by sequential pressurized liquid extraction: Chromatographic characterization and profiling of cytotoxic, antitumoral and immunopharmacological properties 通过顺序加压液体萃取获得的桔梗茎皮乙醇提取物：色谱表征及细胞毒性、抗肿瘤和免疫药理特性分析

IF 3.3 3区医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE

Journal of Traditional and Complementary Medicine

Pub Date : 2025-05-01 DOI: 10.1016/j.jtcme.2024.06.004

Rose N. Pereira-Filho , Wilson D. Gonçalves-Júnior , Agenor G. dos Santos-Neto , John L.S. Cunha , Oslei P. de Almeida , Luciana N. Andrade , Daniela Droppa-Almeida , Ricardo G. Amaral , Cláudio Dariva , Juliana C. Cardoso , Patricia Severino , Eliana B. Souto , Ricardo L.C. de Albuquerque-Júnior

This study aims to characterize the cytotoxic, antitumoral and immunopharmacological profile of the ethanolic extract of Himatanthus bracteatus (EEHB) stem bark. Chromatographic analysis revealed the major EEHB composition in dimethyl isoplumerideo acid, 13-deoxyplumerido, isoplumeride, and plumeride. Cytotoxicity was performed on MCF-7 and MCF-10A cell lines using MTT assay. The antitumor activity was assessed using sarcoma 180 tumor cells subcutaneously implanted in mice. After seven days, hematological and biochemical analysis, and pathological evaluation of tumors and visceral organs were carried out. The IC₅₀ value was 28.49 ± 2.05 μg/mL on MCF7 cells, but over 320 μg/mL on MCF-10A cells. Molecular docking was predicted using the caspase 3 molecular target with plumeride and isoplumeride ligands. Both compounds were also analyzed by PreADMET. The tumor growth inhibition was comparable to 5-FU. EEHB reduced the proliferative index (Ki67 immunoexpression) but increased the expression of apoptotic markers in a sarcoma 180 model. The ligands showed interaction with Caspase 3 with a binding energy between −7.2 and −6.6 kcal/mol for isoplumeride and −7.8 to −7.0 kcal/mol for plumeride. Hydrogen interactions were present between the ligands and caspase 3. Both phytochemicals showed low or no permeability in blood-brain barrier and medium permeability in Caco-2 cells and only isoplumeride showed mutagenic potential and carcinogenic. EEHB presented no toxicological effect either on the hematological parameters or average weight and histological features of liver, kidneys, and spleen. Our data suggest that EEHB has antitumor activity in S-180 tumor-bearing mice by blocking cell cycle and increasing apoptosis.

本研究的目的是表征Himatanthus bracteatus （EEHB）茎皮乙醇提取物的细胞毒性、抗肿瘤和免疫药理学特征。色谱分析表明，EEHB主要由二甲基异汞酸、13-脱氧汞、异汞化物和汞化物组成。采用MTT法对MCF-7和MCF-10A细胞株进行细胞毒性试验。采用小鼠皮下植入肉瘤180肿瘤细胞，评价其抗肿瘤活性。7天后进行血液学、生化分析，肿瘤及脏器病理评价。MCF7细胞的IC50值为28.49±2.05 μg/mL， MCF-10A细胞的IC50值大于320 μg/mL。利用半胱天冬酶3分子靶标与铅酰汞和异铅酰汞配体进行分子对接预测。两种化合物也通过PreADMET进行了分析。肿瘤生长抑制作用与5-FU相当。在肉瘤180模型中，EEHB降低了增殖指数（Ki67免疫表达），但增加了凋亡标志物的表达。这些配体与Caspase 3相互作用，异汞化物的结合能在−7.2 ~−6.6 kcal/mol之间，而汞化物的结合能在−7.8 ~−7.0 kcal/mol之间。配体与caspase 3之间存在氢相互作用。这两种植物化学物质在血脑屏障中均表现为低通透性或无通透性，在Caco-2细胞中表现为中等通透性，只有异汞化物具有致突变和致癌性。EEHB对肝脏、肾脏和脾脏的血液学参数、平均体重和组织学特征均无毒理学影响。我们的数据表明EEHB通过阻断S-180荷瘤小鼠的细胞周期和增加细胞凋亡而具有抗肿瘤活性。

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引用次数: 0

Network pharmacology-based study to investigate the mechanism of compound houttuynia mixture against influenza virus infection by suppressing TLR7/MyD88 signaling pathway 基于网络药理学的研究，探讨复方鱼腥草混合物通过抑制 TLR7/MyD88 信号通路抗流感病毒感染的机制

IF 3.3 3区医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE

Journal of Traditional and Complementary Medicine

Pub Date : 2025-05-01 DOI: 10.1016/j.jtcme.2024.03.008

Hailin Wei , Wenlei Wang , Qin Su , Zhihui Zheng , Zihan Chen , Xinyue Zhang , Yihan Xu , Xiaoquan Wang , Pinghu Zhang

Aim of the study

Compound houttuynia mixture (CHM) has been approved to cure respiratory diseases in China. However, the anti-influenza virus effect and underlying mechanism of CHM remains to be confirmed.

Materials and methods

The in vitro activity of CHM against H3N2 virus was evaluated using MDCK, A549 and THP-1 cells as an in vitro model. The in vivo protective effect on H3N2 virus infection was investigated. Moreover, serum cytokines were measured with high throughput liquid phase protein chip. The anti-influenza mechanism of CHM was predicted by network pharmacology and further validated with immunoblotting.

Results

Our results indicated that CHM has significant inhibitory effect on the replication of influenza A H3N2 virus. Furthermore, CHM could effectively reduce the mortality caused by lethal H3N2 virus infection by prolonging the survival time, reducing lung pathological injury, and suppressing excessive cytokines storm. Network pharmacology revealed that the protective effect of CHM on influenza virus infection was involved in multiple targets and multiple pathways. Mechanistic validation indicated that inhibiting the excessive activation of TLR7/MyD88 signaling pathway may be the critical mechanism of CHM exerting the protective effect against influenza virus infection.

Conclusion

Regulating of TLR7/MyD88/NF-κB signaling pathway in multiple target cells might be one of key mechanisms of CHM by inhibiting virus replication and excessive inflammatory. Our findings indicated that CHM might be an effective treatment for influenza virus infection.

研究目的：复方鱼腥草合剂（CHM）在中国已被批准用于治疗呼吸系统疾病。然而，中草药的抗流感病毒作用及其机制仍有待证实。材料与方法以MDCK、A549和THP-1细胞为体外模型，评价中药对H3N2病毒的体外活性。研究了其在体内对H3N2病毒感染的保护作用。采用高通量液相蛋白芯片检测血清细胞因子。用网络药理学方法预测中药抗流感的作用机制，并用免疫印迹法进一步验证。结果中药对甲型流感H3N2病毒的复制有明显的抑制作用。此外，CHM可通过延长存活时间、减轻肺病理损伤、抑制过量细胞因子风暴等方式，有效降低H3N2病毒致死性感染的死亡率。网络药理学研究表明，中草药对流感病毒感染的保护作用涉及多靶点、多途径。机制验证表明，抑制TLR7/MyD88信号通路的过度激活可能是中草药发挥流感病毒感染保护作用的关键机制。结论TLR7/MyD88/NF-κB信号通路在多靶细胞中的调控可能是抑制病毒复制和过度炎症的重要机制之一。我们的研究结果表明中草药可能是治疗流感病毒感染的有效方法。

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引用次数: 0

Characterizing therapeutic effects of velvet antler using different omics strategies 利用不同组学策略研究鹿茸的治疗效果

IF 3.3 3区医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE

Journal of Traditional and Complementary Medicine

Pub Date : 2025-05-01 DOI: 10.1016/j.jtcme.2024.08.002

Shang-Tse Ho , Ching-Yun Kuo , Ming-Ju Chen

Velvet antler (VA) has been widely used in traditional Chinese medicine more than thousand years. Several pharmacological properties of VA have been demonstrated, such as anti-osteoporosis, anti-osteoarthritis, anti-aging, and anti-ischemia-hypoxia effects. Recently, many studies applied different omics in VA studies to illustrate biological pathways or processes, identify bioactive compounds, and discover pharmacological properties. This mini-review article summarizes the application of different omics for investigating therapeutic effects of VA. The limitation and future challenges facing the application of multi-omics in VA is also briefly discussed.

鹿茸（VA）在中医中被广泛使用了一千多年。VA的一些药理特性已被证明，如抗骨质疏松症、抗骨关节炎、抗衰老和抗缺血-缺氧作用。近年来，许多研究将不同的组学应用于VA研究，以阐明生物学途径或过程，鉴定生物活性化合物，发现药理特性。本文综述了不同组学在血管性脑炎治疗中的应用，并简要讨论了多组学在血管性脑炎治疗中的局限性和未来面临的挑战。

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Analyzing mechanisms of qing fei bao yuan decoction granules in treating COPD based on LC-MS, network pharmacology and in vivo methods 基于LC-MS、网络药理学和活体方法分析清热保元颗粒治疗慢性阻塞性肺疾病的机制

IF 3.3 3区医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE

Journal of Traditional and Complementary Medicine

Pub Date : 2025-05-01 DOI: 10.1016/j.jtcme.2024.04.005

Amei Tang , Yang Liu , Guoqiang Guan , Tong Hao , Feng Cao

Background and aim

The current therapeutic interventions of chronic obstructive pulmonary disease offer only partial alleviation of symptoms, leaving the majority of patients with persistent and significant clinical manifestations. This investigation seeks to elucidate the underlying pharmacological mechanisms of Qing Fei Bao Yuan Decoction (QFBYD) employing a multidisciplinary approach that includes network pharmacology and molecular docking techniques.

Experimental procedure

The QFBYD formulation were subjected to mass spectrometry analysis, while critical compounds and biological targets were subsequently identified through the TCMSP database. Disease- and drug-specific targets were collated from a plethora of databases, including Batman-TCM, Stitch, Swiss Target Prediction and GeneCards. GO and KEGG pathways were analyzed for the collected targets. A PPI network was constructed using STRING database to isolate core targets. Molecular docking was executed using Auto Dock Tools and PyMOL software, and an animal model of COPD was developed for experimental validation.

Results and conclusions

Seven salient compounds and five core biological targets were ascertained through our analysis. Additionally, four compounds demonstrated high-affinity binding to the identified targets. Pathways involving bacterial endotoxin response, oxidative stress regulation, and endothelial cell migration were significantly enriched according to the KEGG database. Animal models substantiated that QFBYD ameliorated pathological hallmarks, enhanced respiratory functionality, mitigated overexpression of pro-inflammatory cytokines, augmented the antioxidant defense mechanism, and suppressed the hyperactivity of the five core targets. The efficacy of QFBYD in COPD treatment may be primarily attributed to its role in moderating inflammatory responses and rectifying oxidative imbalances.

背景和目的目前慢性阻塞性肺疾病的治疗干预措施只能部分缓解症状，使大多数患者具有持续和显著的临床表现。本研究旨在通过网络药理学和分子对接技术等多学科方法，阐明清肺保元汤的潜在药理机制。实验程序QFBYD制剂进行质谱分析，随后通过TCMSP数据库鉴定关键化合物和生物靶点。疾病和药物特异性靶标是从大量数据库中整理出来的，包括Batman-TCM、Stitch、Swiss Target Prediction和GeneCards。对收集到的靶点进行GO和KEGG通路分析。利用STRING数据库构建PPI网络，分离核心目标。使用Auto Dock Tools和PyMOL软件进行分子对接，并建立COPD动物模型进行实验验证。结果与结论通过分析确定了7个突出化合物和5个核心生物学靶点。此外，四种化合物与鉴定的靶标表现出高亲和力结合。根据KEGG数据库，涉及细菌内毒素反应、氧化应激调节和内皮细胞迁移的途径显著丰富。动物模型证实，QFBYD改善了病理标志，增强了呼吸功能，减轻了促炎细胞因子的过度表达，增强了抗氧化防御机制，并抑制了五个核心靶点的过度活性。QFBYD在COPD治疗中的疗效可能主要归因于其调节炎症反应和纠正氧化失衡的作用。

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