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Herb-immunosuppressive drug interactions: Implications for kidney transplant recipients. 草药与免疫抑制药物的相互作用:对肾移植受者的影响。
IF 2.6 3区 医学 Q3 CHEMISTRY, MEDICINAL Pub Date : 2025-12-16 DOI: 10.1016/j.fitote.2025.107039
Ludmilla Santana, Viviane de Oliveira Leal, Priscila Mansur Leal, Larissa de Mattos Manhães, Denise Mafra, Natália Alvarenga Borges

Advancements in immunosuppressive therapy have significantly improved long-term graft survival in kidney transplant recipients. Concurrently, the global use of medicinal plants and herbal medicines as complementary and alternative therapies has expanded, with many patients seeking to mitigate adverse effects and enhance their overall well-being. However, the simultaneous use of medicinal plants or herbal medicines alongside conventional immunosuppressive regimens presents significant clinical challenges due to the potential for pharmacokinetic and pharmacodynamic interactions. Many of these natural alternatives contain bioactive compounds that may modulate the metabolism and efficacy of immunosuppressants, either by enhancing or diminishing their therapeutic effects. This modulation often occurs through the induction or inhibition of hepatic cytochrome P450 enzymes and drug transporters, leading to fluctuations in immunosuppressant blood concentrations. Such variations can predispose transplant recipients to graft rejection due to subtherapeutic drug levels or, conversely, to toxicity from supratherapeutic exposure. Beyond pharmacological interactions, contamination of herbal preparations with heavy metals poses an additional risk. Exposure to nephrotoxic metals has been linked to graft dysfunction and an increased risk of graft loss. This narrative review critically examines the current scientific evidence regarding the interactions between medicinal plants and/or herbal medicines and immunosuppressive therapies, highlighting the potential implications for kidney transplant recipients. Also, it discusses the impact on graft survival, patient safety, and the need for greater regulatory oversight in the use of herbal medicines among this vulnerable population.

免疫抑制疗法的进步显著提高了肾移植受者的长期移植存活率。与此同时,药用植物和草药作为补充和替代疗法在全球的使用也在扩大,许多患者寻求减轻不良影响并提高其整体健康水平。然而,由于潜在的药代动力学和药效学相互作用,药用植物或草药与传统的免疫抑制方案同时使用带来了重大的临床挑战。这些天然替代品中有许多含有生物活性化合物,可以通过增强或减弱免疫抑制剂的治疗效果来调节其代谢和功效。这种调节通常通过诱导或抑制肝细胞色素P450酶和药物转运体而发生,导致免疫抑制剂血药浓度的波动。这种变异可使移植受者由于亚治疗药物水平而易发生移植排斥反应,或者相反,由于超治疗暴露而产生毒性。除了药理学上的相互作用,重金属污染的草药制剂也会带来额外的风险。暴露于肾毒性金属与移植物功能障碍和移植物丧失的风险增加有关。这篇叙述性综述批判性地审查了目前关于药用植物和/或草药与免疫抑制疗法之间相互作用的科学证据,强调了对肾移植受者的潜在影响。此外,它还讨论了对移植物存活、患者安全的影响,以及在这一弱势群体中使用草药时加强监管的必要性。
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引用次数: 0
Corrigendum to "Anti-diabetic compounds from the seeds of Psoralea corylifolia" [Fitoterapia 139 (2019) 104373]. “补骨脂种子抗糖尿病化合物”的勘误表[Fitoterapia 139(2019) 104373]。
IF 2.6 3区 医学 Q3 CHEMISTRY, MEDICINAL Pub Date : 2025-12-15 DOI: 10.1016/j.fitote.2025.107036
Gaohui Zhu, Yanhong Luo, Xuejiao Xu, Huijiao Zhang, Min Zhu
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引用次数: 0
Integrated in vitro and in silico analysis of Artemisia absinthium identifies Parishin C and Parishin B as promising multitarget antifasciolic agents. 对苦艾草进行体外和体内综合分析,确定Parishin C和Parishin B是有前途的多靶点抗筋膜炎药物。
IF 2.6 3区 医学 Q3 CHEMISTRY, MEDICINAL Pub Date : 2025-12-15 DOI: 10.1016/j.fitote.2025.107038
Muhammad Zulqarnain, Sidra Abbas, Muhammad Arfan Zaman, Muhammad Zahid Sarfaraz, Aziz-Ur-Rehman, Tariq Hussain, Abdul Basit, Kasim Sakran Abass

Fasciola spp. is a significant parasitic threat to both humans and livestock, causing estimated economic losses of US$3.2 billion annually, including treatment expenses and reduced on-farm productivity. The study was aimed at performing the phytochemical profiling, evaluation of the anthelmintic activity of Artemisia absinthium against different life stages of Fasciola gigantica, and in silico identification of hit compounds from the extract. The ESI-MS/MS analysis was performed to identify the phytochemicals in the extract. Ovicidal and adulticidal assays were used for in vitro anthelmintic evaluation. Subsequently, in silico molecular docking of identified phytochemicals was conducted against proteins, thioredoxin, glutathione S-transferase, and cathepsin L. Phytochemical analysis identified 22 compounds, including terpenoids, flavonoids, and phenols, and revealed Parishin C and Parishin B as the distinct compounds in the extract. The extract exhibited concentration-dependent ovicidal efficacy, at 50 μg/mL, the percentage of undeveloped ova was 84.33 % for A. absinthium and 88 % for albendazole. In the adulticidal assay, a concentration- and time-dependent response was observed, with comparable efficacy to that of albendazole. In silico results showed the strong inhibitory potential of Parishin C and Parishin B against all protein, and unveiled them as potential hit compounds. These findings validated the anthelmintic activity of A. absinthium and underscore its potential as a natural source of antifasciolic agents. Moreover, the inhibitory activity of parishins across all proteins positions them as promising candidates for the development of novel anthelmintic therapies against drug-resistant Fasciola species.

片形吸虫是对人类和牲畜的一种重大寄生虫威胁,估计每年造成32亿美元的经济损失,包括治疗费用和农场生产力下降。本研究旨在对苦艾进行植物化学分析,评价苦艾对巨型片形吸虫不同生命阶段的驱虫活性,并对苦艾提取物中主要化合物进行计算机鉴定。采用ESI-MS/MS分析鉴定提取物中的植物化学成分。体外驱虫评价采用杀卵和杀成虫试验。随后,将鉴定出的植物化学物质与蛋白质、硫氧还蛋白、谷胱甘肽s -转移酶和组织蛋白酶l进行硅分子对接。植物化学分析鉴定出22种化合物,包括萜类、类黄酮和酚类,并发现Parishin C和Parishin B是提取物中不同的化合物。在50 μg/mL浓度下,苦艾草未发育卵率为84.33 %,阿苯达唑未发育卵率为88 %。在杀虫试验中,观察到浓度和时间依赖性反应,与阿苯达唑的效果相当。结果表明,Parishin C和Parishin B对所有蛋白均有较强的抑制作用,是潜在的靶向化合物。这些发现证实了苦艾草的驱虫药活性,并强调了其作为抗筋膜炎药物的天然来源的潜力。此外,parishins对所有蛋白质的抑制活性使它们成为开发针对耐药片形吸虫物种的新型驱虫药的有希望的候选者。
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引用次数: 0
Decoding the mechanistic landscape of harpagoside: From molecular targets to translational pharmacology. 解码哈巴戈苷的机制景观:从分子靶点到转化药理学。
IF 2.6 3区 医学 Q3 CHEMISTRY, MEDICINAL Pub Date : 2025-12-12 DOI: 10.1016/j.fitote.2025.107029
Harpreet Kaur, Dinesh Kumar, Vinod Gauttam, Ashish Suttee, Romanpreet Kaur, Rajni Tanwar, Suresh Babu Kondaveeti, Neeraj Choudhary

Harpagoside, a pharmacologically active iridoid glycoside from Harpagophytum procumbens (Devil's Claw), exhibits broad therapeutic properties including anti-inflammatory, antioxidant, analgesic, anticancer, and bone-protective effects. Preclinical studies demonstrate pathway modulation at concentrations of 10-50 μM, targeting NF-κB, AP-1, Nrf2/HO-1, PI3K/Akt, and MAPKs, with in vivo evidence for bone preservation, metabolic regulation, and neuroprotection. Clinical trials using standardized extracts (50-100 mg/day harpagoside or 2.6 g/day powdered root) have reported significant improvements in osteoarthritis and chronic low back pain, with fewer gastrointestinal adverse effects compared to NSAIDs. Unlike previous reviews, this article emphasizes the multi-pathway and systems pharmacology mechanisms of harpagoside, its prodrug-like behavior through biotransformation into active metabolites, and formulation strategies, such as nanoparticles, phospholipid complexes, and semi-synthetic derivatives, to overcome poor oral bioavailability. Current challenges include variability in phytochemical content, limited pharmacokinetic and safety data, and insufficient GLP-compliant long-term toxicity studies. By integrating molecular targets, preclinical and clinical evidence, and advances in delivery technologies, this review positions harpagoside as a prototype multi-target phytochemical with significant translational promise in inflammatory, metabolic, and degenerative disorders.

Harpagoside是一种具有药理活性的环烯醚萜苷类化合物,来自于Harpagophytum proumbens (Devil's Claw),具有广泛的治疗特性,包括抗炎、抗氧化、镇痛、抗癌和骨骼保护作用。临床前研究表明,10-50 μM的浓度可调节通路,靶向NF-κB、AP-1、Nrf2/HO-1、PI3K/Akt和MAPKs,在体内具有骨保存、代谢调节和神经保护作用。使用标准化提取物(50- 100mg /天哈巴果苷或2.6 g/天哈巴果苷粉)的临床试验报告了骨关节炎和慢性腰痛的显著改善,与非甾体抗炎药相比,胃肠道不良反应更少。与以往的综述不同,本文强调哈巴苷的多途径和系统药理学机制,其前药样行为通过生物转化为活性代谢物,以及配方策略,如纳米颗粒,磷脂复合物和半合成衍生物,以克服口服生物利用度差。目前的挑战包括植物化学成分的可变性,有限的药代动力学和安全性数据,以及缺乏glp合规的长期毒性研究。通过整合分子靶点、临床前和临床证据以及递送技术的进步,本文将哈巴果苷定位为一种原型多靶点植物化学物质,在炎症、代谢和退行性疾病中具有重要的转化前景。
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引用次数: 0
Comparative chemical profiles of fruiting bodies and mycelia of Cordyceps cicadae and Ophiocordyceps sobolifera, and Immunometabolic modulation by liquid-fermented mycelia. 蝉虫草和蛇虫草子实体和菌丝的化学成分比较及液体发酵菌丝对免疫代谢的调节作用。
IF 2.6 3区 医学 Q3 CHEMISTRY, MEDICINAL Pub Date : 2025-12-12 DOI: 10.1016/j.fitote.2025.107028
Jui-Hsia Hsu, Ying-Yu Chen, Ting-Wei Lin, I-Tsang Chiang, Lynn-Huey Chiang, Chin-Chu Chen

Cordyceps cicadae and Ophiocordyceps sobolifera are entomopathogenic fungi often misidentified due to taxonomic ambiguity, leading to confusion in research and applications. This study compared their metabolite compositions and immunomodulatory activities using molecular identification, chemical profiling, and in vitro assays. High-performance liquid chromatography and LC-MS/MS revealed distinct signatures: C. cicadae lacked myriocin but accumulated N6-(2-hydroxyethyl)adenosine (HEA), while O. sobolifera produced abundant myriocin but no HEA. Beauvericin was enriched in wild C. cicadae, whereas adenosine was consistently present in both species, with higher levels in O. sobolifera. Cordycepin was detected only in artificially cultivated C. cicadae. Functional assays showed that C. cicadae extracts, HEA, and adenosine significantly suppressed C48/80-induced histamine release from mast cells, and ethanol extracts of C. cicadae reduced interleukin-33 (IL-33) activation. In contrast, O. sobolifera water extracts enhanced glucagon-like peptide-1 (GLP-1) secretion, while myriocin, beauvericin, and oosporein were inactive in these pathways. These findings clarify the compositional and functional divergence between the two fungi. The absence of toxic myriocin in C. cicadae supports its safer use in food and medicinal applications, with HEA emerging as a key bioactive marker. Liquid fermentation further enhances HEA levels while reducing beauvericin, suggesting its suitability for controlled production. Meanwhile, O. sobolifera may be explored for GLP-1-related benefits. Overall, this study provides a molecular and functional basis to differentiate the two species and highlights their distinct potential in health applications.

蝉虫草(Cordyceps cicadae)和蛇虫草(Ophiocordyceps sobolifera)是一种昆虫病原真菌,由于分类上的歧义,经常被误认,导致研究和应用上的混乱。本研究通过分子鉴定、化学分析和体外实验比较了它们的代谢物组成和免疫调节活性。高效液相色谱和LC-MS/MS分析结果表明,蝉蝉缺乏肉豆蔻素,但积累了N6-(2-羟乙基)腺苷(HEA);Beauvericin在野生蝉蝉中富集,而腺苷在两种蝉蝉中均一致存在,其中o.s obolifera含量较高。虫草素仅在人工栽培的蝉虫中检测到。功能实验表明,蝉提取物、HEA和腺苷可显著抑制c48 /80诱导的肥大细胞组胺释放,蝉乙醇提取物可降低白细胞介素-33 (IL-33)的激活。与此相反,水提取物可增强胰高血糖素样肽-1 (GLP-1)的分泌,而肉豆素、beauvericin和oosporein在这些途径中无活性。这些发现澄清了两种真菌在成分和功能上的差异。蝉蝉中不含有毒的肉豆蔻素,这为其在食品和医药领域的安全应用提供了支持,HEA正成为一种关键的生物活性标志物。液体发酵进一步提高HEA水平,同时减少beauvericin,表明其适合控制生产。与此同时,还可以探索O. sobolifera是否具有glp -1相关的益处。总之,这项研究为区分这两个物种提供了分子和功能基础,并突出了它们在健康应用方面的独特潜力。
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引用次数: 0
Sesquiterpenoids from the fruits of Alpinia oxyphylla and their anti-renal fibrosis activities. 杉木果实中的倍半萜类化合物及其抗肾纤维化活性。
IF 2.6 3区 医学 Q3 CHEMISTRY, MEDICINAL Pub Date : 2025-12-11 DOI: 10.1016/j.fitote.2025.107032
Xiao-Ning Liu, Bo-Tao Lu, Mei Wang, Yue-Tong Zhu, Yong-Xian Cheng, Yan-Zhi Wang

Six new sesquiterpenoids, including two cadinane sesquiterpenoids (1 and 2), four eudesmane sesquiterpenoids (3-6), together with seven known analogues (7-13) and two diphenylheptanes (14 and 15) were isolated from the fruits of Alpinia oxyphylla. The structures of these new compounds were elucidated by analysis of spectroscopic data (NMR) and electronic circular dichroism (ECD) calculations. The cell viability and anti-renal fibrotic activity of compounds 1-6 were analyzed by CCK-8 and Western blot, and compounds 2 and 6 exhibited inhibitory renal fibrosis activity in TGF-β1-induced renal proximal renal tubular cells, and dose-effect relationships were observed in compounds 2 and 6.

从杉木果实中分离到6个新的倍半萜类化合物,包括2个癸烷倍半萜类化合物(1和2),4个癸烷倍半萜类化合物(3-6),以及7个已知的类似物(7-13)和2个二苯基庚烷类化合物(14和15)。这些新化合物的结构通过波谱分析(NMR)和电子圆二色性(ECD)计算得到了证实。通过CCK-8和Western blotting分析化合物1-6的细胞活力和抗肾纤维化活性,化合物2和6对TGF-β1诱导的肾近端肾小管细胞具有抑制肾纤维化活性,并观察化合物2和6的剂量效应关系。
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引用次数: 0
Protective effect of Maren-Tiaogan Decoction on high-fat diet-induced MASLD in mice. 麻调肝汤对高脂饮食致小鼠MASLD的保护作用。
IF 2.6 3区 医学 Q3 CHEMISTRY, MEDICINAL Pub Date : 2025-12-10 DOI: 10.1016/j.fitote.2025.107023
Qianru Zhu, Yujie Ren, Xujie Tang, Shu Jia, Jingyi Wu, Xiaomin Yao, Junling Zhu

Background and aim: Recent epidemiological studies have highlighted a significant increase in the global prevalence of metabolic dysfunction-associated steatotic liver disease (MASLD). This study explores the hepatoprotective mechanisms of Maren-Tiaogan Decoction (MRTGD), a traditional Chinese medicine (TCM) formulation, using a high-fat diet (HFD) murine model of MASLD. The findings may provide a safer and more effective TCM-based therapeutic option for patients with MASLD.

Experimental procedure: A 12-week HFD-induced mouse model of MASLD was established. MRTGD was administered at high, medium and low doses via oral gavage twice daily as the therapeutic intervention. The chemical constituents of MRTGD were identified using UPLC-MS/MS. Hepatic steatosis and changes in adipocyte area were assessed using hematoxylin and eosin (H&E) staining and Oil Red O staining. Biochemical analyses were conducted to measure serum aminotransferase levels, serum lipid profiles, hepatic lipid content and oxidative stress. Furthermore, mRNA expression and protein abundance of critical regulators governing lipid homeostasis and autophagic flux were quantitatively analyzed through real-time reverse transcription quantitative polymerase chain reaction (RT-qPCR) and Western blot.

Results: MRTGD, containing 467 constituents, exhibits significant protective effects against HFD-induced MASLD/MASH by suppressing elevated serum transaminases and hyperlipidemia, reducing hepatic lipid accumulation and steatosis, ameliorating histopathological alterations and adipocyte hypertrophy, while alleviating hepatocyte apoptosis and hepatic oxidative stress. MRTGD not only effectively restores the abnormal up-regulation of lipogenic proteins (such as SREBP-1c and ACC) and the down-regulation of lipid-catabolizing proteins (including PPARα), but also normalizes the expression levels of the PI3K/AKT/mTOR signaling pathway.

Conclusion: The experimental results demonstrate that MRTGD effectively prevents HFD-induced MASLD, partially through modulation of lipid metabolism and autophagy pathways.

背景和目的:最近的流行病学研究强调了代谢功能障碍相关脂肪变性肝病(MASLD)的全球患病率显着增加。本研究采用高脂饮食(HFD)小鼠模型,探讨中药制剂麻仁调肝汤(MRTGD)的保肝机制。研究结果可能为MASLD患者提供一种更安全、更有效的基于tcm的治疗选择。实验方法:建立12周hfd诱导的MASLD小鼠模型。MRTGD分别以高、中、低剂量灌胃治疗,每日2次。采用UPLC-MS/MS对MRTGD的化学成分进行鉴定。采用苏木精和伊红(H&E)染色和油红O染色评估肝脂肪变性和脂肪细胞面积的变化。生化分析测定血清转氨酶水平、血脂、肝脏脂质含量和氧化应激。此外,通过实时逆转录定量聚合酶链反应(RT-qPCR)和Western blot,定量分析了控制脂质稳态和自噬通量的关键调控因子的mRNA表达和蛋白质丰度。结果:MRTGD含有467种成分,通过抑制血清转氨酶升高和高脂血症,减少肝脏脂质积累和脂肪变性,改善组织病理改变和脂肪细胞肥大,同时减轻肝细胞凋亡和肝脏氧化应激,对hfd诱导的MASLD/MASH具有显著的保护作用。MRTGD不仅能有效恢复异常上调的脂肪生成蛋白(如SREBP-1c、ACC)和下调的脂质分解代谢蛋白(包括PPARα),还能使PI3K/AKT/mTOR信号通路的表达水平正常化。结论:实验结果表明,MRTGD可有效预防hfd诱导的MASLD,部分通过调节脂质代谢和自噬途径。
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引用次数: 0
Amide alkaloids from the fruits of Piper longum L. and their bioactivities. 胡椒果实中的酰胺类生物碱及其生物活性。
IF 2.6 3区 医学 Q3 CHEMISTRY, MEDICINAL Pub Date : 2025-12-10 DOI: 10.1016/j.fitote.2025.107024
Guanghui Gou, Wenli Bao, Liu Liu, Nannan Xu, Jun Li

Eight previously undescribed amide alkaloids [1-5], including three pairs of enantiomers [(±)-3, (±)-4, and (±)-5], along with 17 known compounds (6-22), were isolated from the fruits of Piper longum L with chromatographic techniques and chiral separation. The planar structures and relative configurations of these compounds were elucidated using HRESIMS and NMR analyses, while the absolute configurations were determined by electronic circular dichroism (ECD) calculations. Compounds 1-22 were assessed for their in vitro NO inhibition, cytotoxic, and anti-diabetic activities. Compounds (+)-5, 7, and 8 showed moderate NO inhibitory activity (10 μM < IC50 < 30 μM). Compounds 1, 9, and 13 exhibited significant cytotoxic effects against HeLa cells, with IC50 values of 9.99 ± 0.62, 6.25 ± 0.32, and 9.61 ± 0.48 μM, respectively. Compounds (+)-4, 7, 8, 9, 11, 12, 13, 15, and 16 showed potent cytotoxicity against HT-29 cells with IC50 values ranging from 2.65 to 7.78 μM. Compounds (+)-4, 6, and 16 exhibited weak cytotoxicity against MCF-7 cells (IC50 > 30 μM). Additionally, compound 6 showed moderate inhibitory activity against α-glucosidase with an IC50 of 112.03 ± 3.69 μM, whereas compound 8 significantly inhibited PTP1B, with an IC50 of 9.06 ± 0.68 μM. These findings offer valuable insights into the potential application of amide alkaloids from P. longum in developing functional foods and pharmaceuticals, highlighting their promise in health promotion.

通过色谱技术和手性分离,从胡椒果实中分离得到8种未被描述的酰胺类生物碱[1-5],包括3对对映体[(±)-3,(±)-4和(±)-5],以及17种已知化合物(6-22)。这些化合物的平面结构和相对构型通过HR-ESI-MS和NMR分析得到,绝对构型通过电子圆二色性(ECD)计算得到。对化合物1 ~ 22进行体外NO抑制、细胞毒性和抗糖尿病活性评价。化合物(+)5、7和8显示中度没有抑制活性(10 50μM  50值9.99 ± 0.62,6.25 ± 0.32,和9.61 ±0.48  μM,分别。化合物(+)-4、7、8、9、11、12、13、15和16对HT-29细胞具有较强的细胞毒性,IC50值为2.65 ~ 7.78 μM。化合物(+)- 4,6和16对MCF-7细胞表现出弱的细胞毒性(IC50 > 30 μM)。此外,化合物6对α-葡萄糖苷酶具有中等抑制活性,IC50为112.03 ± 3.69 μM,而化合物8对PTP1B具有显著抑制作用,IC50为9.06 ± 0.68 μM。这些发现为龙葵酰胺类生物碱在功能性食品和药物开发中的潜在应用提供了有价值的见解,突出了其在促进健康方面的前景。
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引用次数: 0
Integrating mouse oral trial, LC-HRMS-based untargeted metabolomics and network pharmacology for screening bioactive components of Astragalus membranaceus curing type-II diabetes mellitus (T2DM). 结合小鼠口服试验、lc - hrms非靶向代谢组学和网络药理学筛选黄芪治疗2型糖尿病的生物活性成分。
IF 2.6 3区 医学 Q3 CHEMISTRY, MEDICINAL Pub Date : 2025-12-10 DOI: 10.1016/j.fitote.2025.107033
Tang Chao, Xie Shuangnan, Jia Hongtao, Shen Qi, He Weizhong, Li Bin, Deng Shiyi, Tang Jing, Liu Zhi, Wang Cheng

Astragalus membranaceus (AM), a well-known traditional Chinese medicine (TCM), has been found to exhibit significant therapeutic effects on T2DM. The mechanism of AM (root) extract ameliorating diabetes and its medicinal components were deep inverstigated in this work. A mouse oral trial, LC-HRMS-based untargeted metabolomics, quantitative spectrum effect relationship analysis (QSERA), and network pharmacology was integrated for this studying. With the aid of data-mining by AntDAS (Automatic Data Analysis Strategy) platform, 59 bioactive compounds involved in the Leprdb/db mouse model of T2DM therapy were screened from LC-HRMS fingerprints of AM (root) extract even in the presence of heavily interfered background. The key bioactive AM (root) metabolites, astragaloside and i-arabinose, influence T2DM targets including IL2 and HSP90AA1. Molecular docking experiment revealed high-affinity binding between astragaloside and i-arabinose and these core targets. QSERA predicted the specific regulatory effects of bioactive compounds on T2DM in mice. This integrated approach provides a novel strategy for interpreting the pharmacodynamic effects of AM (root) extract in T2DM, which may facilitate the clinical application of traditional Chinese medicine.

黄芪(Astragalus aceus, AM)是一种著名的中药,对2型糖尿病有显著的治疗作用。本文对AM(根)提取物改善糖尿病的机制及其药物成分进行了深入的研究。本研究结合小鼠口服试验、基于lc - hrms的非靶向代谢组学、定量谱效应关系分析(QSERA)和网络药理学。利用AntDAS (Automatic Data Analysis Strategy)平台进行数据挖掘,从AM(根)提取物的LC-HRMS指纹图谱中筛选出59种参与Leprdb/db T2DM小鼠模型治疗的生物活性化合物,即使存在严重干扰的背景。关键的生物活性AM(根)代谢物黄芪甲苷和i-阿拉伯糖影响T2DM靶标包括il - 2和HSP90AA1。分子对接实验显示黄芪甲苷和阿拉伯糖与这些核心靶点具有高亲和力结合。QSERA预测了生物活性化合物对小鼠T2DM的特异性调节作用。这种综合方法为解释AM(根)提取物在T2DM中的药效学作用提供了一种新的策略,可能有助于中药的临床应用。
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引用次数: 0
Dimeric Phthalides from an endophytic fungus Phomopsis sp. of Aconitum carmichaeli. 乌头内生真菌Phomopsis sp.的二聚体邻苯二甲酸酯。
IF 2.6 3区 医学 Q3 CHEMISTRY, MEDICINAL Pub Date : 2025-12-09 DOI: 10.1016/j.fitote.2025.107035
Yuan Gao, Jia-Hui Wang, Ming-Qian Han, Rong Huang, Shao-Hua Wu

Three racemic pairs of new dimeric phthalides, (±)-phomophthalides A-C ((±)-1-3), together with eight known compounds (4-11), were obtained from the culture broth of the endophytic fungus Phomopsis sp. YM 355364 isolated from the medicinal plant Aconitum carmichaeli. The chemical structures of the new compounds were established by extensive NMR spectroscopic and HRESI-MS analysis and DP4+ calculations. The new compounds were tested for their antimicrobial activities by broth microdilution method. Compound 1 showed moderate inhibitory activity toward three pathogenic fungal strains Fusarium solani, Candida albicans, and Botrytis cinerea with MIC values of 16, 32, and 32 μg/mL, respectively. Compound 2 exhibited antifungal activity against B. cinerea and C. albicans with MIC values of 16 and 32 μg/mL, respectively.

从药用植物乌头内生真菌Phomopsis sp. YM 355364的培养液中分离得到3对新的二聚体苯酞(±)-phomophthalides A-C(±)-1-3)和8个已知化合物(4-11)。通过NMR、HRESI-MS分析和DP4+计算确定了新化合物的化学结构。用微量肉汤稀释法测定了新化合物的抑菌活性。化合物1对茄灰镰刀菌、白色念珠菌和灰霉病菌具有中等抑制活性,MIC值分别为16、32和32 μg/mL。化合物2对灰绿芽孢杆菌和白色念珠菌的MIC值分别为16和32 μg/mL。
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