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Applications and challenges of DNA barcoding in rapid radiation groups: Rhodiola (Crassulaceae) as a case study DNA条形码技术在快速辐射组中的应用与挑战:以红景天为例
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2025-07-01 DOI: 10.1016/j.chmed.2024.08.001
Jinxin Liu , Erhuan Zang , Yu Tian , Xinyi Li , Tianyi Xin , Lingchao Zeng , Lijia Xu , Peigen Xiao

Objective

Rhodiolae Crenulatae Radix et Rhizoma (Hongjingtian in Chinese, RCRR), the roots and rhizomes of Rhodiola crenulata and its application in the medicinal market is very chaotic. In this study, DNA barcoding database and identification engine of Rhodiola species were established, decoction pieces from the medicinal market were identified, and the application and challenges of DNA barcoding in the rapid radiation of Rhodiola species were analyzed. This study provides reference for the protection, rational development, and utilization of endangered resources within Rhodiola species.

Methods

A total of 50 original plant samples from 20 species of the genus Rhodiola from Hebei, Xinjiang, Tibet, Jilin, and other major production areas were collected. Theses samples cover the typical distribution area (Qinghai-Tibetan Platea) of Rhodiola species and other scattered alpine regions (Changbai Mountain, Taibai Mountain, Lushan Mountain, etc.), it encompasses all Rhodiola species with thick rhizomes in China. ITS2 and psbA-trnH barcode of Rhodiola database (BORD) were established and an identification engine named Rhodiola-IDE was developed. The stability and accuracy of the standard DNA barcoding database were evaluated using two datasets. Rhodiola-IDE identified 31 decoction pieces of RCRR from the medicinal material market.

Results

The BORD containing 1 532 sequences of 88 Rhodiola species has been established, and the identification efficiency results showed good accuracy and stability. According to the Chinese Pharmacopoeia (2020 edition), 23 samples (74.2%) were identified as authentic R. crenulata, while the rest of the marketed varieties were R. kirilowii, R. dumulosa, and R. fastigiata. The product label “Larger flower, Hongjingtian” was identified as R. crenulata. Samples labeled as “Smaller flower, Hongjingtian” were identified as R. crenulata, R. kirilowii, and R. fastigiata.

Conclusion

ITS2 and psbA-trnH barcodes can identify monophyletic groups represented by R. crenulata. However, for non-monophyletic species, it is necessary to collect as many samples as possible and combine them with multiple markers for joint identification. This study discussed the application and challenges of DNA barcodes in Rhodiola under rapid radiation conditions, providing a scientific basis for the rational development and utilization of Rhodiola varieties.
目的红景天(Hongjingtian, RCRR),红景天的根和根茎及其在医药市场上的应用非常混乱。本研究通过建立红景天物种DNA条形码数据库和鉴定引擎,对药用市场上的饮片进行鉴定,分析DNA条形码技术在红景天物种快速辐射中的应用和面临的挑战。本研究为红景天濒危物种资源的保护、合理开发和利用提供参考。方法采集河北、新疆、西藏、吉林等主要产地红景天属植物20种50份原始标本。这些样品覆盖了红景天种的典型分布区(青藏高原)和其他分散的高寒地区(长白山、太白山、庐山等),涵盖了中国所有根茎粗的红景天种。建立了红景天数据库(BORD)的ITS2和psbA-trnH条形码,并开发了红景天- ide识别引擎。使用两个数据集评估标准DNA条形码数据库的稳定性和准确性。Rhodiola-IDE从药材市场中鉴定出31个RCRR饮片。结果建立了包含88个红景天种1 532个序列的BORD,鉴定效率结果具有良好的准确性和稳定性。根据《中国药典》(2020年版),23份样品(占74.2%)被鉴定为真品,其余上市品种为基里洛白、杜鹃白和尖白白。产品标签“大花,红荆天”鉴定为小木犀草。标记为“较小的花,红井田”的样品鉴定为crenulata、kirilowii和fastigiata。结论its2和psbA-trnH条形码可识别以小木犀为代表的单系类群。而对于非单系物种,则需要尽可能多地采集样本,并结合多个标记进行联合鉴定。本研究探讨了DNA条形码技术在红景天快速辐射条件下的应用及面临的挑战,为红景天品种的合理开发利用提供科学依据。
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引用次数: 0
Establishing traditional Chinese medicine in Europe 在欧洲建立传统中医
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2025-07-01 DOI: 10.1016/j.chmed.2025.05.004
Thomas Efferth
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引用次数: 0
Qingjie Fuzheng Granule prevents colitis-associated colorectal cancer by inhibiting abnormal activation of NOD2/NF-κB signaling pathway mediated by gut microbiota disorder 清肠扶正颗粒通过抑制肠道菌群紊乱介导的NOD2/NF-κB信号通路异常激活,预防结肠炎相关结直肠癌
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2025-07-01 DOI: 10.1016/j.chmed.2025.04.001
Bin Huang , Honglin An , Mengxuan Gui , Yiman Qiu , Wen Xu , Liming Chen , Qiang Li , Shaofeng Yao , Shihan Lin , Tatyana Aleksandrovna Khrustaleva , Ruiguo Wang , Jiumao Lin

Objective

This study investigates the efficacy and mechanisms of Qingjie Fuzheng Granules (QFG) in inhibiting colitis-associated colorectal cancer (CAC) development via RNA sequencing (RNA-seq) and 16S ribosomal RNA (rRNA) correlation analysis.

Methods

CAC was induced in BALB/c mice using azoxymethane (AOM) and dextran sulfate sodium (DSS), and QFG was administered orally to the treatment group. The effects of QFG on CAC were evaluated using disease index, histology, and serum T-cell ratios. RNA-seq and 16S rRNA analysis assessed the transcriptome and microbiome change. Key pharmacodynamic pathways were identified by integrating these data and confirmed via Western blotting and immunofluorescence. The link between microbiota and CAC-related markers was explored using linear discriminant analysis effect size and Spearman correlation analysis.

Results

Long-term treatment with QFG prevented AOM/DSS-induced CAC formation, reduced levels of interleukin (IL)-1β, tumor necrosis factor-alpha (TNF-α), IL-6, and interferon γ (IFN-γ), and increased CD3+ and CD4+/CD8+ T cells ratio, without causing hepatic or renal toxicity. A 16S rRNA analysis revealed that QFG rebalanced the Firmicutes/Bacteroidetes ratio and mitigated AOM/DSS-induced microbiota disturbances. Transcriptomics and Western blotting analysis identified the nucleotide-binding oligomerization domain-containing protein 2 (NOD2)/nuclear factor kappa-B (NF-κB) pathway as key for QFG’s treatment against CAC. Furthermore, QFG decreased the abundance of Bacilli, Bacillales, Staphylococcaceae, Staphylococcus, Lactobacillales, Aerococcus, Alloprevotella, and Akkermansia, while increasing Clostridiales, Lachnospiraceae, Lachnospiraceae_NK4A136_group, Ruminococcaceae, and Muribaculaceae, which were highly correlated with CAC-related markers or NOD2/NF-κB pathway.

Conclusion

By mapping the relationships between CAC, immune responses, microbiota, and key pathways, this study clarifies the mechanism of QFG in inhibiting CAC, highlighting its potential for clinical use as preventive therapy.
目的通过RNA测序(RNA-seq)和16S核糖体RNA (rRNA)相关分析,探讨清肠扶正颗粒(QFG)抑制结肠炎相关结直肠癌(CAC)发展的疗效及机制。方法用偶氮氧甲烷(AOM)和硫酸葡聚糖钠(DSS)诱导BALB/c小鼠scac,治疗组口服QFG。使用疾病指数、组织学和血清t细胞比率评估QFG对CAC的影响。RNA-seq和16S rRNA分析评估转录组和微生物组的变化。通过整合这些数据确定了关键的药效学途径,并通过免疫印迹和免疫荧光证实。采用线性判别分析、效应量分析和Spearman相关分析,探讨微生物群与cac相关标志物之间的关系。结果QFG长期治疗可阻止AOM/ dss诱导的CAC形成,降低白细胞介素(IL)-1β、肿瘤坏死因子-α (TNF-α)、IL-6和干扰素γ (IFN-γ)水平,增加CD3+和CD4+/CD8+ T细胞比例,无肝、肾毒性。16S rRNA分析显示,QFG重新平衡了厚壁菌门/拟杆菌门的比例,减轻了AOM/ dss诱导的微生物群紊乱。转录组学和Western blotting分析发现,核苷酸结合寡聚结构域蛋白2 (NOD2)/核因子κ b (NF-κB)通路是QFG治疗CAC的关键。此外,QFG降低了Bacilli、Bacillales、Staphylococcaceae、Staphylococcus、Lactobacillales、Aerococcus、Alloprevotella和Akkermansia的丰度,增加了Clostridiales、Lachnospiraceae、Lachnospiraceae_NK4A136_group、Ruminococcaceae和Muribaculaceae的丰度,这些丰度与cac相关标记物或NOD2/NF-κB通路高度相关。结论本研究通过绘制CAC与免疫应答、微生物群和关键通路之间的关系,阐明了QFG抑制CAC的机制,突出了其作为预防治疗的临床应用潜力。
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引用次数: 0
Compound Danshen Tablets ameliorate myocardial ischemia/reperfusion injury-induced ventricular remodeling by regulating autophagy via AMPK/mTOR signaling pathway 复方丹参片通过AMPK/mTOR信号通路调节自噬,改善心肌缺血再灌注损伤引起的心室重构
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2025-07-01 DOI: 10.1016/j.chmed.2024.03.003
Qiaoyu Li , Yun Luo , Haibiao Guo , Wenxiu Liu , Hui Yu , Chuyuan Li , Rongchang Chen , Xiaobo Sun

Objective

Left ventricular remodeling induced by myocardial ischemia/reperfusion injury (MI/RI) is a common cardiac dysfunction. Accumulating evidence has demonstrated that autophagy plays a vital role in protecting against ventricular remodeling. This study aims to investigate the performance of Compound Danshen Tablets (CDT) in rescuing ventricular remodeling and whether autophagy as the potential mechanism.

Methods

The left anterior descending arteries of rats were temporarily ligated for 30 min to construct the MI/RI model. Ventricular remodeling was induced by reperfusion for 28 d, during which the MI/RI rats were administered CDT (300 mg/kg and 600 mg/kg), atorvastatin (2 mg/kg), and diltiazem (16 mg/kg). Cardiac function and structure were examined by echocardiography. Immunohistochemistry, Masson's trichrome staining, and hematoxylin-eosin (HE) staining were utilized to assess the fibrosis and histological alterations in the heart tissue. The expression of autophagy-related proteins was detected using Western blotting.

Results

CDT attenuated the cardiac dysfunction, structural changes, histopathological changes and fibrosis induced by MI/RI. CDT significantly enhanced the level of Beclin1 and microtubule-associated protein 1 light chain 3 beta (LC3β), and reduced p62 levels in MI/RI rats. Moreover, CDT significantly increased the phosphorylation of adenosine monophosphate-activated protein kinase (AMPK) and inhibited mammalian target of rapamycin (mTOR) phosphorylation.

Conclusion

CDT ameliorated MI/RI-induced ventricular remodeling by activating autophagy and improving autophagic flux via the AMPK/mTOR signaling pathway.
目的心肌缺血再灌注损伤(MI/RI)引起的左室重构是常见的心功能障碍。越来越多的证据表明,自噬在防止心室重构中起着至关重要的作用。本研究旨在探讨复方丹参片(CDT)对大鼠心室重构的修复作用及自噬是否为其潜在机制。方法暂时结扎大鼠左前降支30 min,建立心肌梗死/心肌梗死模型。再灌注28 d后,心肌梗死/心肌梗死大鼠分别给予CDT (300 mg/kg和600 mg/kg)、阿托伐他汀(2 mg/kg)和地尔硫卓(16 mg/kg)。超声心动图检查心脏功能和结构。采用免疫组化、马松三色染色、苏木精-伊红(HE)染色评价心肌组织纤维化及组织学改变。Western blotting检测自噬相关蛋白的表达。结果scdt能减轻心肌梗死/心肌梗死引起的心功能障碍、结构改变、组织病理改变及纤维化。CDT显著提高MI/RI大鼠Beclin1和微管相关蛋白1轻链3β (LC3β)水平,降低p62水平。此外,CDT显著增加单磷酸腺苷活化蛋白激酶(AMPK)的磷酸化,抑制哺乳动物雷帕霉素靶蛋白(mTOR)的磷酸化。结论cdt通过AMPK/mTOR信号通路激活自噬,提高自噬通量,改善心肌梗死/心肌梗死诱导的心室重构。
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引用次数: 0
Ecological factors impacting genetic characteristics and metabolite accumulations of Gastrodia elata 影响天麻遗传特性和代谢物积累的生态因素
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2025-07-01 DOI: 10.1016/j.chmed.2024.09.002
Zhaoyu Zhang , Xiaodong Li , Yuchi Zhang , Niegui Yin , Guoying Wu , Guangfei Wei , Yuxin Zhou , Shilin Chen , Linlin Dong

Objective

The investigation of the correlation between ecological factors and the genetic characteristics or metabolites of plants offers valuable insights into the regional causes of genetic and metabolic diversity. Here, Gastrodia elata, a medicinal plant, is employed as a model to explore the environmental factors that influence its genetic characteristics and metabolic accumulations.

Methods

A total of 23 G. elata populations from six cultispecies and 11 cultivated regions were selected based on the predictions of the global geographic information system. The genetic characteristics of these populations were evaluated using highly polymorphic simple sequence repeat markers. Additionally, the metabolic accumulations and antioxidant capacity of mature tubers were measured employing colorimetry and high performance liquid chromatography (HPLC). Ecological data of each region were obtained from the WorldClim-global climate database and harmonized world soil database. To assess the influence of ecological factors on the genetic characteristics and metabolic profiles of G. elata, Pearson’s correlation analysis was conducted.

Results

Genetic variation among G. elata populations exceeded that within populations. Genetic diverisity, distance and structure manifested regional and species-specific patterns. Metabolic profiling and antioxidant capacity exhibited regional variations. Notably, the Lueyang region demonstrated that a content range of total polysaccharide, total protein, and phenolic glycosides was 9.34%−189.67% higher than the average. Similarly, in the Hubei region, total phenolic content, p-hydroxybenzyl alcohol content, and antioxidant indicators were observed to be higher than the average levels, by 106.57%, 136.47% and 12.50%−91.14%, respectively. Furthermore, ecological factors had a significant comprehensive impact on G. elata genetic characteristics (r > 0.256 and P < 0.05). Multivariate metabolite accumulations in G. elata were influenced by dominant ecological factors. Temperature notably impacted the accumulation of total protein (|r| > 0.528 and P < 0.05). Moisture, encompassing precipitation and soil content, significantly affected the production of phenolic glycosides (|r| > 0.503 and P < 0.05).

Conclusion

The genetic characteristics of G. elata manifested regional and species-specific patterns, with the metabolic accumulations and antioxidant capacity of mature tubers exhibited regional variations. Specifically, multivariate ecological factors comprehensively influenced genetic characteristics. Temperature and moisture played pivotal roles in regulating the accumulations of proteins and phenolic glycosides, respectively. These findings underscore the significant impact of ecological
目的研究生态因子与植物遗传特征或代谢物的相关性,为植物遗传和代谢多样性的区域成因提供有价值的见解。本文以药用植物天麻为模型,探讨影响其遗传特性和代谢积累的环境因素。方法利用全球地理信息系统的预测数据,从6个栽培品种和11个栽培地区选取23个大叶黄居群。利用高度多态性的简单序列重复标记对这些群体的遗传特征进行了评价。此外,采用比色法和高效液相色谱法测定了成熟块茎的代谢积累和抗氧化能力。各区域生态数据来源于世界气候-全球气候数据库和世界土壤统一数据库。采用Pearson相关分析方法,评价生态因子对白桦遗传性状和代谢谱的影响。结果居群间遗传变异大于居群内遗传变异。遗传多样性、距离和结构表现出区域和物种特有的格局。代谢谱和抗氧化能力表现出区域差异。值得注意的是,吕阳地区的总多糖、总蛋白和酚类苷含量范围比平均水平高9.34% ~ 189.67%。湖北地区总酚含量、对羟基苯醇含量和抗氧化指标均高于平均水平,分别高出106.57%、136.47%和12.50% ~ 91.14%。此外,生态因子对白杨遗传特征有显著的综合影响(r >;0.256和P <;0.05)。白杨多变量代谢物积累受显性生态因子影响。温度显著影响总蛋白的积累(|r| >;0.528和P <;0.05)。水分,包括降水和土壤含量,显著影响酚类苷的生产(|或| >;0.503和P <;0.05)。结论龙舌兰遗传特征具有地域性和种特异性,成熟块茎代谢积累和抗氧化能力具有地域性差异。具体来说,多元生态因素综合影响遗传特征。温度和湿度分别在调节蛋白质和酚苷的积累中起关键作用。这些研究结果强调了生态因子对龙葵形成的显著影响,强调了它们在提高中药材质量方面的重要作用。
{"title":"Ecological factors impacting genetic characteristics and metabolite accumulations of Gastrodia elata","authors":"Zhaoyu Zhang ,&nbsp;Xiaodong Li ,&nbsp;Yuchi Zhang ,&nbsp;Niegui Yin ,&nbsp;Guoying Wu ,&nbsp;Guangfei Wei ,&nbsp;Yuxin Zhou ,&nbsp;Shilin Chen ,&nbsp;Linlin Dong","doi":"10.1016/j.chmed.2024.09.002","DOIUrl":"10.1016/j.chmed.2024.09.002","url":null,"abstract":"<div><h3>Objective</h3><div>The investigation of the correlation between ecological factors and the genetic characteristics or metabolites of plants offers valuable insights into the regional causes of genetic and metabolic diversity. Here, <em>Gastrodia elata</em>, a medicinal plant, is employed as a model to explore the environmental factors that influence its genetic characteristics and metabolic accumulations.</div></div><div><h3>Methods</h3><div>A total of 23 <em>G. elata</em> populations from six cultispecies and 11 cultivated regions were selected based on the predictions of the global geographic information system. The genetic characteristics of these populations were evaluated using highly polymorphic simple sequence repeat markers. Additionally, the metabolic accumulations and antioxidant capacity of mature tubers were measured employing colorimetry and high performance liquid chromatography (HPLC). Ecological data of each region were obtained from the WorldClim-global climate database and harmonized world soil database. To assess the influence of ecological factors on the genetic characteristics and metabolic profiles of <em>G. elata</em>, Pearson’s correlation analysis was conducted.</div></div><div><h3>Results</h3><div>Genetic variation among <em>G. elata</em> populations exceeded that within populations. Genetic diverisity, distance and structure manifested regional and species-specific patterns. Metabolic profiling and antioxidant capacity exhibited regional variations. Notably, the Lueyang region demonstrated that a content range of total polysaccharide, total protein, and phenolic glycosides was 9.34%−189.67% higher than the average. Similarly, in the Hubei region, total phenolic content, <em>p</em>-hydroxybenzyl alcohol content, and antioxidant indicators were observed to be higher than the average levels, by 106.57%, 136.47% and 12.50%−91.14%, respectively. Furthermore, ecological factors had a significant comprehensive impact on <em>G. elata</em> genetic characteristics (<em>r</em> &gt; 0.256 and <em>P</em> &lt; 0.05). Multivariate metabolite accumulations in <em>G. elata</em> were influenced by dominant ecological factors. Temperature notably impacted the accumulation of total protein (|<em>r|</em> &gt; 0.528 and <em>P</em> &lt; 0.05). Moisture, encompassing precipitation and soil content, significantly affected the production of phenolic glycosides (|<em>r</em>| &gt; 0.503 and <em>P</em> &lt; 0.05).</div></div><div><h3>Conclusion</h3><div>The genetic characteristics of <em>G. elata</em> manifested regional and species-specific patterns, with the metabolic accumulations and antioxidant capacity of mature tubers exhibited regional variations. Specifically, multivariate ecological factors comprehensively influenced genetic characteristics. Temperature and moisture played pivotal roles in regulating the accumulations of proteins and phenolic glycosides, respectively. These findings underscore the significant impact of ecological","PeriodicalId":9916,"journal":{"name":"Chinese Herbal Medicines","volume":"17 3","pages":"Pages 562-574"},"PeriodicalIF":4.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144656027","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mechanisms and benefits of phytochemicals as an alternative therapeutic strategy in female cancers 植物化学物质作为女性癌症替代治疗策略的机制和益处
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2025-07-01 DOI: 10.1016/j.chmed.2025.04.002
Yufan Zhao , Shimenghui Deng , Danli Cao , Caiji Lin , Mengzhi Xu , Jiaxing Wang , Lingjie Luo , Shulin Liu , Huidi Liu
Cancer is a highly deadly disease, with breast cancer, cervical cancer, endometrial cancer, and ovarian cancer being the most prevalent in women. However, traditional cancer treatments present challenges due to their strong toxic side effects and adverse reactions. Numerous studies have demonstrated that natural products derived from various plants possess therapeutic and preventive properties against cancer. These phytochemicals have been extensively investigated as a potential alternative to conventional chemotherapy drugs, owing to their safety and efficacy. This article provides a comprehensive review of the recent advances in the chemoprevention and mechanisms of phytochemicals against the four major female cancers. The focus will be on how these phytochemicals regulate cancer cell proliferation, apoptosis, invasion, and metastasis to impede cancer progression. Given their extensive clinical applications, phytochemicals hold great promise in the field of cancer treatment. It hopes that this review will inspire more researchers to explore the potential of these natural compounds in combating female cancers.
癌症是一种高度致命的疾病,乳腺癌、宫颈癌、子宫内膜癌和卵巢癌是女性中最常见的疾病。然而,传统的癌症治疗方法由于其强烈的毒副作用和不良反应而面临挑战。许多研究表明,从各种植物中提取的天然产物具有治疗和预防癌症的特性。由于其安全性和有效性,这些植物化学物质已被广泛研究作为传统化疗药物的潜在替代品。本文就植物化学物质对女性四种主要癌症的化学预防及其作用机制的研究进展作一综述。重点将是这些植物化学物质如何调节癌细胞的增殖、凋亡、侵袭和转移,以阻止癌症的进展。鉴于其广泛的临床应用,植物化学物质在癌症治疗领域具有很大的前景。希望这篇综述能激励更多的研究人员探索这些天然化合物在对抗女性癌症方面的潜力。
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引用次数: 0
Unraveling bioactive potential and production in Ganoderma lucidum through omics and machine learning modeling 通过组学和机器学习建模揭示灵芝的生物活性潜力和生产
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2025-07-01 DOI: 10.1016/j.chmed.2025.05.003
Sonali Khanal , Anand Kumar , Pankaj Kumar , Pratibha Thakur , Atul M. Chander , Rachna Verma , Ashwani Tapwal , Vinay Chauhan , Dinesh Kumar , Deepak Kumar
Ganoderma lucidum, a medicinal mushroom renowned for its production of a diverse array of compounds, accounts for the pharmacological effects including anti-inflammatory, antioxidant, immunomodulatory, and anticancer characteristics. Thus, it is recognized as a valuable species of interest in the pharmaceutical and nutraceutical industries due to its important medicinal properties. Recent advances in omics technologies such as genomes, transcriptomics, proteomics, and metabolomics have considerably increased our understanding of the bioactives in G. lucidum. This review explores the application of molecular breeding techniques to enhance both the yield and quality of G. lucidum across the food, pharmaceutical, and industrial sectors. The article discusses the current state of research on the use of contemporary omics technologies which studies and highlights future research directions that may increase the production of bioactive compounds for their therapeutic potential. Additionally, predictive methods with computational studies have recently emerged as effective tools for investigating bioactive constituents in G. lucidum, providing an organized and cost-effective strategy for understanding their bioactivity, interactions, and possible therapeutic uses. Omics and machine learning techniques can be applied to identify the candidates for pharmaceutical applications and to enhance the production of bioactive compounds in G. lucidum. The quantification and production of the bioactive compounds can be streamlined by the integrating computational study of bioactive compounds with non-destructive predictive machine learning models of the same. Synergistically, these techniques have the potential to be a promising approach for the future prediction of the bioactive constituents, without compromising the integrity of the fungal organism.
灵芝(Ganoderma lucidum)是一种以生产多种化合物而闻名的药用蘑菇,具有抗炎、抗氧化、免疫调节和抗癌等药理作用。因此,由于其重要的药用特性,它被认为是制药和营养保健行业的一种有价值的物种。近年来,基因组学、转录组学、蛋白质组学和代谢组学等组学技术的发展大大提高了我们对灵芝生物活性的认识。本文综述了分子育种技术在食品、制药和工业等领域提高灵芝产量和品质的应用。本文讨论了当代组学技术的研究现状,并强调了未来的研究方向,这些方向可能会增加生物活性化合物的生产,以发挥其治疗潜力。此外,计算研究的预测方法最近成为研究灵芝生物活性成分的有效工具,为了解其生物活性、相互作用和可能的治疗用途提供了有组织和具有成本效益的策略。组学和机器学习技术可以用于识别候选药物应用,并提高灵芝中生物活性化合物的生产。通过将生物活性化合物的计算研究与生物活性化合物的非破坏性预测机器学习模型相结合,可以简化生物活性化合物的量化和生产。协同作用下,这些技术有可能成为未来预测生物活性成分的有前途的方法,而不会损害真菌有机体的完整性。
{"title":"Unraveling bioactive potential and production in Ganoderma lucidum through omics and machine learning modeling","authors":"Sonali Khanal ,&nbsp;Anand Kumar ,&nbsp;Pankaj Kumar ,&nbsp;Pratibha Thakur ,&nbsp;Atul M. Chander ,&nbsp;Rachna Verma ,&nbsp;Ashwani Tapwal ,&nbsp;Vinay Chauhan ,&nbsp;Dinesh Kumar ,&nbsp;Deepak Kumar","doi":"10.1016/j.chmed.2025.05.003","DOIUrl":"10.1016/j.chmed.2025.05.003","url":null,"abstract":"<div><div><em>Ganoderma lucidum</em>, a medicinal mushroom renowned for its production of a diverse array of compounds, accounts for the pharmacological effects including anti-inflammatory, antioxidant, immunomodulatory, and anticancer characteristics. Thus, it is recognized as a valuable species of interest in the pharmaceutical and nutraceutical industries due to its important medicinal properties. Recent advances in omics technologies such as genomes, transcriptomics, proteomics, and metabolomics have considerably increased our understanding of the bioactives in <em>G. lucidum</em>. This review explores the application of molecular breeding techniques to enhance both the yield and quality of <em>G. lucidum</em> across the food, pharmaceutical, and industrial sectors. The article discusses the current state of research on the use of contemporary omics technologies which studies and highlights future research directions that may increase the production of bioactive compounds for their therapeutic potential. Additionally, predictive methods with computational studies have recently emerged as effective tools for investigating bioactive constituents in <em>G. lucidum</em>, providing an organized and cost-effective strategy for understanding their bioactivity, interactions, and possible therapeutic uses. Omics and machine learning techniques can be applied to identify the candidates for pharmaceutical applications and to enhance the production of bioactive compounds in <em>G. lucidum</em>. The quantification and production of the bioactive compounds can be streamlined by the integrating computational study of bioactive compounds with non-destructive predictive machine learning models of the same. Synergistically, these techniques have the potential to be a promising approach for the future prediction of the bioactive constituents, without compromising the integrity of the fungal organism.</div></div>","PeriodicalId":9916,"journal":{"name":"Chinese Herbal Medicines","volume":"17 3","pages":"Pages 414-427"},"PeriodicalIF":4.7,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144655037","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Identification and functional characterization of a new flavonoid glycosyltransferase from Rheum palmatum 一种新的掌大黄酮糖基转移酶的鉴定与功能表征
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2025-04-01 DOI: 10.1016/j.chmed.2024.08.003
Shiwen Zhang , Jianzhen Zou , Zitong Hao , Mengqi Gao , Gang Zhang , Mengmeng Liu

Objective

To characterize a glycosyltransferase (RpUGT1) from Rheum palmatum and investigate its specificity toward flavonoid compounds.

Methods

The RpUGT1 was expressed in Escherichia coli and screened for catalytic activity against a range of flavonoid substrates using a high-throughput HPLC assay method. Mass spectrometry (MS) and nuclear magnetic resonance (NMR) were used to determine the structure of the product. Homology modeling, molecular docking analyses and site-directed mutagenesis studies were conducted to identify key residues responsible for its function.

Results

The recombinant RpUGT1 protein exhibited catalytic activity towards various flavonoids. Notably, RpUGT1 catalyzed the glycosylation of isorhamnetin to form 3-O-glucoside and kaempferol to form 7-O-glucoside, utilizing uridine diphosphate (UDP) glucose as the sugar donor. The homology modeling and molecular docking analyses identified key residues responsible for its activity. Subsequent site-directed mutagenesis studies highlighted the crucial role of K307 in catalysis.

Conclusion

These discoveries offer valuable perspectives on the role of the UGT family and establish a groundwork for forthcoming research on the synthesis of flavonoids in plants.
目的研究掌大黄糖基转移酶(RpUGT1)的结构特征,并探讨其对黄酮类化合物的特异性。方法在大肠杆菌中表达RpUGT1,采用高效液相色谱法筛选其对一系列类黄酮底物的催化活性。采用质谱(MS)和核磁共振(NMR)测定产物的结构。通过同源性建模、分子对接分析和定点诱变研究来确定其功能的关键残基。结果重组RpUGT1蛋白对多种黄酮类化合物具有催化活性。值得注意的是,RpUGT1利用尿苷二磷酸(UDP)葡萄糖作为糖供体,催化异鼠李素糖基化生成3- o -葡萄糖苷,山奈酚糖基化生成7- o -葡萄糖苷。同源性建模和分子对接分析确定了其活性的关键残基。随后的定点诱变研究强调了K307在催化中的关键作用。结论这些发现为研究UGT家族的作用提供了有价值的视角,并为进一步研究植物中黄酮类化合物的合成奠定了基础。
{"title":"Identification and functional characterization of a new flavonoid glycosyltransferase from Rheum palmatum","authors":"Shiwen Zhang ,&nbsp;Jianzhen Zou ,&nbsp;Zitong Hao ,&nbsp;Mengqi Gao ,&nbsp;Gang Zhang ,&nbsp;Mengmeng Liu","doi":"10.1016/j.chmed.2024.08.003","DOIUrl":"10.1016/j.chmed.2024.08.003","url":null,"abstract":"<div><h3>Objective</h3><div>To characterize a glycosyltransferase (RpUGT1) from <em>Rheum palmatum</em> and investigate its specificity toward flavonoid compounds.</div></div><div><h3>Methods</h3><div>The RpUGT1 was expressed in <em>Escherichia coli</em> and screened for catalytic activity against a range of flavonoid substrates using a high-throughput HPLC assay method. Mass spectrometry (MS) and nuclear magnetic resonance (NMR) were used to determine the structure of the product. Homology modeling, molecular docking analyses and site-directed mutagenesis studies were conducted to identify key residues responsible for its function.</div></div><div><h3>Results</h3><div>The recombinant RpUGT1 protein exhibited catalytic activity towards various flavonoids. Notably, RpUGT1 catalyzed the glycosylation of isorhamnetin to form 3-<em>O</em>-glucoside and kaempferol to form 7-<em>O</em>-glucoside, utilizing uridine diphosphate (UDP) glucose as the sugar donor. The homology modeling and molecular docking analyses identified key residues responsible for its activity. Subsequent site-directed mutagenesis studies highlighted the crucial role of K307 in catalysis.</div></div><div><h3>Conclusion</h3><div>These discoveries offer valuable perspectives on the role of the UGT family and establish a groundwork for forthcoming research on the synthesis of flavonoids in plants.</div></div>","PeriodicalId":9916,"journal":{"name":"Chinese Herbal Medicines","volume":"17 2","pages":"Pages 307-314"},"PeriodicalIF":4.7,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143808341","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Amelioration of atherosclerotic complications and dyslipidemia by verbascoside-enriched fraction of Clerodendrum glandulosum leaves targeting LDL-R and LXR-mediated reverse cholesterol transport 以LDL-R和lxr介导的胆固醇逆向转运为靶点,富含毛茛苷的毛茛叶提取物改善动脉粥样硬化并发症和血脂异常
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2025-04-01 DOI: 10.1016/j.chmed.2025.02.007
Puspanjali Khound , Nonibala Gurumayum , Rajlakshmi Devi
<div><h3>Objective</h3><div><em>Clerodendrum glandulosum</em> is widely used in traditional Chinese and Indian systems of medicine for conditions like hypertension and diabetes. While various pharmacological benefits have been reported, research on its anti-atherosclerotic properties remains limited. Atherosclerosis (AS) is a chronic cardiovascular disease linked to dyslipidemia (DLD) and inflammation. This study aims to identify the bioactive fraction from <em>C. glandulosum</em> extract, evaluate its potential against AS and DLD, and explore the molecular mechanisms of cholesterol metabolism.</div></div><div><h3>Methods</h3><div>Bioactivity-guided fractionation was employed to investigate the bioactivity of <em>C. glandulosum</em> by screening biochemical enzyme inhibitory potential. The active fraction was subjected to <em>in vitro</em> testing to assess the anti-inflammatory and anti-adhesion properties. The fraction was administered at 50 and 100 mg/kg per os (p.o.) to cholesterol-cholic acid-thiouracil (CCT) diet-induced atherosclerotic Wistar rats. Changes in lipid and antioxidant profiles, inflammatory markers, and cholesterol metabolism pathways were assessed using Western blotting. Histopathological analyses of the aorta, liver, heart, and kidneys were also conducted. Molecular docking was conducted for the verbascoside (VER) and the standard statin, atorvastatin (ATS), for their binding capabilities with the molecular targets considered in this study.</div></div><div><h3>Results</h3><div>Bioactivity-guided fractionation and screening revealed that ethyl acetate fraction (EAF) contained VER as the principal phytoconstituent. EAF exhibited potent enzyme inhibitory activity, with IC<sub>50</sub> values of 1.059 mg/mL for pancreatic lipase and 22.48 µg/mL for <em>α</em>-glucosidase. In vitro analysis revealed that EAF significantly lowered cell-to-cell adhesion to 0.57 folds from 2.5 folds in the disease control and normalized the inflammatory cytokines. In CCT-diet-induced rats, elevated serum cholesterol and low-density lipoproteins (LDL) levels (92.1 mg/dL and 78.49 mg/dL, respectively) were reduced to 63.52 mg/dL and 58.51 mg/dL with EAF at 100 mg/kg. EAF at 100 mg/kg reduced oxidized LDL to 53.63 ng/mL compared to 157.1 ng/mL in CCT-diet-fed rats. EAF also restored antioxidant activity by increasing superoxide dismutase and catalase levels to 73.78 and 17.72 U/mg protein, respectively, compared to 42.22 and 9.62 U/mg protein in CCT-diet-fed rats. EAF restored inflammatory cytokines to normal levels. Histological analyses validated the protective benefits of EAF supplementation for the structural integrity of the aorta, liver, heart, and kidney tissues. Western blotting analysis of liver tissues revealed changes in the cholesterol metabolic pathway by upregulating peroxisome proliferator-activated receptor gamma (PPAR<em>γ</em>)/liver X receptor alpha (LXR<em>α</em>)/adenosine triphosphate-binding cassette sub-family G member 1 (ABCG1)
目的:在中国和印度的传统医学体系中,腺棘豆被广泛用于治疗高血压和糖尿病等疾病。虽然各种药理作用已被报道,但其抗动脉粥样硬化特性的研究仍然有限。动脉粥样硬化(AS)是一种与血脂异常(DLD)和炎症相关的慢性心血管疾病。本研究旨在鉴定腺体草提取物的生物活性部位,评估其抗AS和DLD的潜力,并探讨其胆固醇代谢的分子机制。方法采用生物活性引导分选法,通过筛选生化酶抑制电位,研究腺棘草的生物活性。对活性部位进行体外抗炎、抗粘连试验。以50和100 mg/kg / os (p.o.)给药于胆固醇-胆酸-硫脲嘧啶(CCT)饮食诱导的动脉粥样硬化Wistar大鼠。脂质和抗氧化谱、炎症标志物和胆固醇代谢途径的变化使用Western blotting进行评估。对主动脉、肝脏、心脏和肾脏也进行了组织病理学分析。我们对毛蕊花苷(VER)和标准他汀类药物阿托伐他汀(ATS)进行了分子对接,以确定它们与本研究考虑的分子靶点的结合能力。结果生物活性引导分离和筛选表明,乙酸乙酯部分(EAF)的主要植物成分为VER。EAF对胰脂肪酶的IC50值为1.059 mg/mL,对α-葡萄糖苷酶的IC50值为22.48µg/mL。体外分析显示,EAF显著降低了细胞间粘附,从疾病对照组的2.5倍降至0.57倍,并使炎症细胞因子正常化。在cct饮食诱导的大鼠中,EAF在100 mg/kg时将血清胆固醇和低密度脂蛋白(LDL)水平分别从92.1 mg/dL和78.49 mg/dL降至63.52 mg/dL和58.51 mg/dL。100 mg/kg EAF将氧化LDL降至53.63 ng/mL,而cct饮食喂养的大鼠为157.1 ng/mL。EAF还通过将超氧化物歧化酶和过氧化氢酶水平分别提高到73.78和17.72 U/mg蛋白,而cct饮食喂养的大鼠的超氧化物歧化酶和过氧化氢酶水平分别为42.22和9.62 U/mg蛋白,从而恢复抗氧化活性。EAF使炎症细胞因子恢复到正常水平。组织学分析证实了补充EAF对主动脉、肝脏、心脏和肾脏组织结构完整性的保护作用。肝组织Western blotting分析显示,胆固醇代谢途径通过上调过氧化物酶体增殖物激活受体γ (PPARγ)/肝脏X受体α (LXRα)/三磷酸腺苷结合盒亚家族G成员1 (ABCG1)和低密度脂蛋白受体(LDL-R)表达而发生变化。与ATS不同,分子对接分析表明VER与分子靶点之间存在很强的相互作用。结论eaf通过PPARγ/LXRα/ABCG1途径逆转胆固醇转运,预防DLD和AS,对心血管健康具有潜在的治疗作用。
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引用次数: 0
Research advancements in molecular glues derived from natural product scaffolds: Chemistry, targets, and molecular mechanisms 天然产物支架衍生的分子胶的研究进展:化学、靶点和分子机制
IF 4.7 4区 医学 Q1 CHEMISTRY, MEDICINAL Pub Date : 2025-04-01 DOI: 10.1016/j.chmed.2025.01.001
Lina Yin , Tingting Niu , Ling Li , Wei Yu , Bo Han , Asma Rehman , Kewu Zeng
The mechanism of action of traditional Chinese medicine (TCM) remains unclear. Historically, research on TCM has mainly focused on exploring the mechanisms of active components acting on single targets. However, it is insufficient to explain the complex mechanisms by which these active components in TCM treat diseases. In recent years, the emergence of molecular glues (MGs) theory has provided new strategies to address this issue. MGs are small molecules that can promote interactions between proteins at their interface. The characteristic of MGs is to establish connections between diverse protein structures, thereby enabling a chemically-mediated proximity effect that triggers a wide spectrum of biological functions. Natural products are the result of billions of years of evolutionary processes in the natural environment. Thus, the extensive structural diversity of natural products renders them a rich source of MGs, including polyketides, terpenoids, steroids, lignans, organic acids, alkaloids and other classes. Currently, several well-known natural MGs, including the immunosuppressants cyclosporin A (CsA) and tacrolimus (FK506), as well as the anticancer agent taxol, have been incorporated into clinical practice. Meanwhile, the advancement of new technologies is propelling the discovery of novel MGs from natural products. Thus, we primarily summarize a growing variety of MGs from natural origins reported in recent years and categorize them based on the chemical structural types. Moreover, the main sources of TCM are natural products. The discovery of natural MGs promises to provide a new perspective for the elucidation of the molecular mechanism behind the efficiency of TCM. In summary, this review aims to provide insights from the perspective of natural products that could potentially influence TCM and modern drug development.
中药的作用机制尚不清楚。历史上,中医药的研究主要集中在探索有效成分作用于单一靶点的机制。然而,尚不足以解释这些中药活性成分治疗疾病的复杂机制。近年来,分子胶理论的出现为解决这一问题提供了新的策略。mg是一种小分子,可以促进蛋白质之间在其界面上的相互作用。MGs的特点是在不同的蛋白质结构之间建立联系,从而实现化学介导的接近效应,从而触发广泛的生物功能。天然产物是自然环境中数十亿年进化过程的结果。因此,天然产物的广泛结构多样性使它们成为丰富的镁元素来源,包括聚酮、萜类、类固醇、木脂素、有机酸、生物碱和其他类。目前,一些知名的天然mg药物,包括免疫抑制剂环孢素A (CsA)和他克莫司(FK506),以及抗癌药物紫杉醇,已被纳入临床实践。与此同时,新技术的进步正在推动从天然产物中发现新的mg。因此,我们主要总结了近年来报道的越来越多的天然来源的mg,并根据化学结构类型对它们进行了分类。此外,中药的主要来源是天然产品。天然mg的发现有望为阐明中药功效背后的分子机制提供新的视角。综上所述,本综述旨在从可能影响中药和现代药物开发的天然产物的角度提供见解。
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引用次数: 0
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Chinese Herbal Medicines
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