Fitoterapia最新文献_第3页

Bioprospecting of endophytic fungi from medicinal plants as a source of antimicrobial agents: In vitro evaluation, metabolite profiling, and docking-based elucidation 药用植物内生真菌作为抗菌药物来源的生物勘探：体外评价、代谢物谱分析和基于对接的解析

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-20 DOI: 10.1016/j.fitote.2026.107104

Shaymaa Ahmed Gouda , E.A. Gamal , Hanaa Mohamed Gouda , Ahmed A.M.A. Selim

The emergence of microbial resistance to antimicrobial agents emphasizes the need to discover new ones. The potential use of endophytic fungi as a source of antimicrobial agents and their mode of action has not been fully explored. Thus, this research aimed to evaluate the antimicrobial activity of 16 endophytic fungal species isolated from some plants collected from Wadi Hagul, Egypt, along with assessing the mechanism of action of the most active one. Alternaria E15 was the most effective fungus against S. aureus with an MIC of 321.5 μgmL⁻¹, E. coli, A. niger with MICs of 1250 μgmL⁻¹, and C. albicans with an MIC of 2500 μgmL⁻¹. It was identified morphologically and molecularly as Alternaria alternata (accession no. PX106371). Sorbitol protection and ergosterol-binding assays indicated that its ethyl acetate extract does not target the fungal cell wall but acts through direct ergosterol binding in the fungal membrane. LC/MS analysis of A. alternata extract revealed seventeen major compounds belonging to different antimicrobial chemical classes. The docking studies on CYP51 and Penicillin-Binding Protein 3 showed that Okanin4-(6-acetylglucoside) and alternariol (docking scores −11.957 and − 7.009, respectively) may inhibit fungal ergosterol biosynthesis, while Okanin4-(6-acetylglucoside) and altenusin may inhibit bacterial cell wall synthesis (docking scores −8.537 and − 8.019, respectively). This study highlights, for the first time to our knowledge, the investigation of Egyptian endophytic fungi isolated from certain plants as a potential source for antimicrobial products, with an understanding of the responsible compounds and their mechanisms supporting their potential use in developing novel medicinal applications.

微生物对抗菌素耐药性的出现强调了发现新抗菌素的必要性。内生真菌作为抗菌药物来源的潜在用途及其作用方式尚未得到充分探索。因此，本研究旨在评价从埃及Wadi Hagul部分植物中分离得到的16种内生真菌的抑菌活性，并对活性最强的一种真菌的作用机制进行评价。对金黄色葡萄球菌MIC为321.5 μgmL−1，对大肠杆菌、黑曲霉MIC为1250 μgmL−1，对白色念珠菌MIC为2500 μgmL−1效果最好。经形态学和分子鉴定为Alternaria alternata（品种号：Alternaria alternata）。PX106371)。山梨糖醇保护和麦角甾醇结合实验表明，其乙酸乙酯提取物不靶向真菌细胞壁，而是通过麦角甾醇在真菌膜上的直接结合起作用。液相色谱/质谱分析结果显示，花楸提取物中含有17种主要的抗菌化学成分。CYP51与青霉素结合蛋白3的对接研究表明，Okanin4-（6-乙酰葡萄糖苷）和alternariol（对接评分分别为- 11.957和- 7.009）可能抑制真菌麦角甾醇的生物合成，而Okanin4-（6-乙酰葡萄糖苷）和altenusin可能抑制细菌细胞壁的合成（对接评分分别为- 8.537和- 8.019）。据我们所知，这项研究首次强调了从某些植物中分离出来的埃及内生真菌作为抗菌产品的潜在来源的调查，并了解了相关化合物及其机制，支持了它们在开发新型药物应用方面的潜在用途。

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引用次数: 0

Vladimiria souliei alleviated ethanol induced gastric ulcer through inhibition of RIP1-RIP3-MLKL necrosome activation Vladimiria soulie通过抑制RIP1-RIP3-MLKL坏死体活化来缓解乙醇诱导的胃溃疡。

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-19 DOI: 10.1016/j.fitote.2026.107102

Xiaojing Wei , Binjing Zhao , Xinyi Jiang , Lunli Lan , Rui Wang , Yuanyuan Li

Vladimiria souliei(Franch.)Ling is used as medicine with dried roots, which is a perennial herb in Asteraceae family. It has been generally applied as traditional Chinese medicine with relieving abdominal swelling or pain, and treatment of digestive system disease. However, the pharmacological mechanism of alleviating gastric ulcer (GU) for this herb were still unknown. UPLC-Q-TOF/MS was performed to analyze the main components of Vladimiria souliei extract (VSE). Based on the results of histopathological observation, cytokines assay, and immunohistochemistry staining, the therapeutic effect of VSE on ethanol-induced GU was appraised. Meanwhile, the CCK-8, LDH assay and crystal violet staining were assessed to evaluate the appropriate concentration of VSE in vitro. In GES-1 cells induced by ethanol, the cell viability, ROS and cell membrane damage assay were detected after the interference of VSE. Then, several pivotal proteins relating to necroptosis in GES-1 were evaluated through immunofluorescence staining to illustrate the further pharma-cological mechanisms. As a result, VSE significantly restrained the expansion of ulcer area, reduced the pepsin activity, restored the levels of SOD, decreased the levels of MDA, ROS, TNF-α, IL-1β, IL-6, and IL-18, ultimately ameliorated the gastric mucosa injury. Further analysis exhibited that VSE significantly inhibited the cellular necroptosis by down-regulating the levels of RIP1, RIP3 and MLKL. Conclusions: This research clarified that the VSE could improve gastric mucosal injury through inhibition of RIP1-RIP3-MLKL necrosome activation, which might provide scientific evidences on the application of Vladimiria souliei as a ethnic herb to ameliorate GU.

Vladimiria souliei(法语)。凌是菊科多年生草本植物，干根成药。它已被普遍应用为中药，缓解腹部肿胀或疼痛，并治疗消化系统疾病。但其缓解胃溃疡的药理机制尚不清楚。采用UPLC-Q-TOF/MS对Vladimiria souliei提取物（VSE）的主要成分进行了分析。通过组织病理学观察、细胞因子测定和免疫组化染色，评价VSE对乙醇性GU的治疗效果。同时通过CCK-8法、LDH法、结晶紫染色法评价体外适宜的VSE浓度。在乙醇诱导的GES-1细胞中，VSE干扰后检测细胞活力、ROS和细胞膜损伤测定。然后，通过免疫荧光染色评估GES-1中与坏死性下垂相关的几个关键蛋白，以进一步阐明药理学机制。结果表明，VSE能明显抑制溃疡面积扩大，降低胃蛋白酶活性，恢复SOD水平，降低MDA、ROS、TNF-α、IL-1β、IL-6、IL-18水平，最终改善胃黏膜损伤。进一步分析发现，VSE通过下调RIP1、RIP3和MLKL水平，显著抑制细胞坏死。结论：本研究阐明了VSE可通过抑制RIP1-RIP3-MLKL坏死体活化改善胃黏膜损伤，为红参作为民族药改善GU的应用提供科学依据。

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引用次数: 0

Identification of secondary metabolites in polar organic extract of the fungus Cladobotryum virescens (Hypocreaceae, Ascomycota) by UHPLC-ESI-MS/MS: Cytotoxic and mutagenic activity 超高效液相色谱- esi -MS/MS法鉴定真菌Cladobotryum virescens （Hypocreaceae, Ascomycota）极性有机提取物的次生代谢物：细胞毒和诱变活性

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-19 DOI: 10.1016/j.fitote.2026.107101

Giselle Hernández , Luis A. Osoria , Beatriz Ramos , Trina H. García , Yarelis Ortiz , Yamilet Coll , Angel D. Vizcaino , Melissa R. Dupuig , Rafael F. Castañeda , Jared S. Goldman , Iraida Spengler , Antonio Francioso

The genus Cladobotryum is known for causing cobweb disease in edible mushroom crops. Its parasitic nature has prompted interest in its biocontrol potential and ability to produce cytotoxic compounds. The aim of this study was to identify secondary metabolites in a metahnolic extract of Cladobotryum virescens G.R.W. Arnold, and to evaluate its cytotoxicity against four cancer cell lines and its mutagenic effect in vitro. The chemical identification of metabolites was conducted using ultra-high performance liquid chromatography electrospray ionization-tandem mass spectrometry (UHPLC-ESI-MS/MS) in negative ionization mode. Cytotoxicity was assessed via MTT assay on MCF-7, MDA-MB-231 (both breast cancer), H460 (lung cancer), and L1210 (murine lymphocytic leukemia line) cell lines. A bacterial reversion test using Salmonella typhimurium strains TA98 and TA100 (Ames' test) was carried out to evaluate mutagenicity. UHPLC-ESI-MS/MS analysis allowed us to tentatively identify a total of 13 compounds in the extract, including polyketides, anthraquinones, and polyphenols mainly glycosylated flavonoids, among others. The methanolic extract of C. virescens showed significant dose-dependent cytotoxic against various cancer cell lines (IC₅₀ = 5.02, 50.15, 12.05 μg/mL for MCF-7, MDA-MB-231, and L1210, respectively) and remarkable primary mutagenic potential. These findings highlight the bioactive potential of C. virescens as a promising source of secondary metabolites for cancer treatment. Particularly, antioxidants may play a role in their cytotoxic effect and support further exploration of Cladobotryum species as a source of biologically active compounds.

Cladobotryum属因在食用菌作物中引起蛛网病而闻名。它的寄生特性引起了人们对其生物防治潜力和产生细胞毒性化合物的能力的兴趣。本研究旨在鉴定绿枝绿枝（Cladobotryum virescens G.R.W. Arnold）代谢提取物的次生代谢产物，并评价其对四种癌细胞的细胞毒性及其体外诱变作用。采用超高效液相色谱-电喷雾-串联质谱（UHPLC-ESI-MS/MS）负电离模式对代谢物进行化学鉴定。通过MTT法对MCF-7、MDA-MB-231（两种乳腺癌）、H460（肺癌）和L1210（小鼠淋巴细胞白血病系）细胞系进行细胞毒性评估。采用鼠伤寒沙门菌TA98和TA100菌株（Ames试验）进行细菌逆转试验，评价其致突变性。UHPLC-ESI-MS/MS分析初步鉴定出13种化合物，包括多酮类化合物、蒽醌类化合物和以糖基化黄酮类化合物为主的多酚类化合物等。绿草醇提物对多种肿瘤细胞系的细胞毒性表现出明显的剂量依赖性（MCF-7、MDA-MB-231和L1210的IC50分别为 = 5.02、50.15、12.05 μg/mL）和显著的初致突变潜力。这些发现突出了绿芽草作为癌症治疗次级代谢物的潜在生物活性。特别是，抗氧化剂可能在其细胞毒性作用中发挥作用，并支持进一步探索枝状纲物种作为生物活性化合物的来源。

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引用次数: 0

Quinones from Rubia manjith and their antitumor activity 芒草中醌类成分及其抗肿瘤活性研究。

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-19 DOI: 10.1016/j.fitote.2026.107097

Yan-Fei Xu , Yun-Jie Wang , Zhuo-Tao Li , Li-Yuan Shi , Qia Wang , Ning-Hua Tan , Xue-Jia Zhang , Li Feng , Zhe Wang

Rubia plants, well-recognized as medicinal resources, are characterized by diverse phytoconstituents and a broad spectrum of biological activities, and have traditionally been employed in managing various diseases. R. manjith, a representative species of the genus Rubia enriched with quinone derivatives, has long been used in traditional Chinese medicine for the treatment of hematemesis, hematuria, inflammation, ulcers, and dermatological disorders. However, up to now, no research on the chemical components of this plant has been carried out. The present study focuses on the quinone constituents of R. manjith with the aim of identifying potential anti-tumor agents. From the roots and rhizomes of R. manjith, four previously undescribed anthraquinones (1–4), together with thirty-one known quinones (5–35), were successfully isolated and identified. Their cytotoxic activities were assessed against several colorectal cancer cell lines, among which 6 exhibited pronounced antiproliferative effects. Furthermore, network pharmacology analysis in combined with molecular docking was employed to elucidate the potential mechanisms underlying the anti-tumor activity of 6.

Rubia植物是公认的药用资源，具有多种植物成分和广泛的生物活性，传统上被用于治疗各种疾病。manjith是Rubia属的代表种，富含醌类衍生物，长期以来被用于治疗呕血、血尿、炎症、溃疡和皮肤病。然而，到目前为止，还没有对这种植物的化学成分进行研究。本文主要对蔓越藤中的醌类成分进行研究，以期发现潜在的抗肿瘤药物。从manjith的根和根茎中分离鉴定了4种未见的蒽醌类化合物（1-4）和31种已知的蒽醌类化合物（5-35）。对几种结直肠癌细胞株进行了细胞毒活性测定，其中6种具有明显的抗增殖作用。通过网络药理学分析结合分子对接，阐明了6。

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引用次数: 0

Chemical composition and evaluation of the antipsoriatic potential of Cistus sintenisii in mouse model 山楂的化学成分及抗银屑病作用的小鼠模型评价。

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-19 DOI: 10.1016/j.fitote.2026.107103

Dionysia Alvanou , Ekaterina-Michaela Tomou , Maria Anagnostou , Christina Barda , Anastasia-Ioanna Papantonaki , Ioannis Sfiniadakis , Jane Anastassopoulou , Andreas Tzakos , Michail Rallis , Helen Skaltsa

Cistus species have been used in the treatment of various ailments, including skin disorders in the traditional medicine. The present study aimed to evaluate the antipsoriatic potential of Cistus sintenisii extracts, using an imiquimod-induced psoriasis mouse model. The most promising effects were observed in the highest concentrations of the extracts, which attenuated psoriatic alterations, such as hyperplasia of the epidermis and inflammation and improved epidermal structure. Furthermore, reduction of approximately 50% in the Psoriasis Area and Severity Index (PASI) score on day 6 indicated a favorable clinical response along with the histological outcomes. In addition, the chemical composition of the aqueous extract was studied, and nine compounds were isolated and identified, namely catechin, quercetin 3-O-α-L-rhamnoside, myricetin 3-O-α-L-rhamnoside, myricetin 3-O-α-L-arabinoside, myricetin 3-O-β-D-galactoside, gallic acid, shikimic acid, protocatechuic acid, and gentisic acid 5-O-β-D-xyloside. These findings may play a key role in the therapeutic potency of C. sintenisii against psoriasis, as well as support the traditional use of Cistus species in treating skin disorders.

山竹属植物已被用于治疗各种疾病，包括传统医学中的皮肤病。本研究旨在利用吡喹莫德诱导的银屑病小鼠模型，评价山竹提取物的抗银屑病潜力。在最高浓度的提取物中观察到最有希望的效果，它可以减轻银屑病的改变，如表皮增生和炎症，并改善表皮结构。此外，在第6天，银屑病面积和严重程度指数（PASI）评分减少了约50%，表明临床反应良好，组织学结果良好。此外，对水提物的化学成分进行了研究，分离鉴定出儿茶素、槲皮素3-O-α- l -鼠李糖、杨梅素3-O-α- l -鼠李糖、杨梅素3-O-α- l -阿拉伯糖、杨梅素3-O-β- d -半乳糖苷、没食子酸、草酸、原儿茶酸、龙胆酸5-O-β- d -木糖苷等9个化合物。这些发现可能在银屑病的治疗效力中发挥关键作用，并支持传统使用山竹属治疗皮肤病。

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引用次数: 0

Metabolomic and cheminformatic study of Sida hyssopifolia: A first record of potential multi-target antidiabetic compounds and chemotaxonomic comparison with Sida glabra and Sida rhombifolia 石竹的代谢组学和化学信息学研究：潜在的多靶点抗糖尿病化合物的首次记录以及与石竹和石竹的化学分类比较。

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-19 DOI: 10.1016/j.fitote.2026.107100

Cecilia I. Mayo-Montor , Juan F. Avellaneda-Tamayo , Abraham Vidal-Limon , Oscar Carmona-Hernández , José Martín Barreda-Castillo , Víctor Manuel Loyola-Vargas , José L. Medina-Franco , Juan L. Monribot-Villanueva , José A. Guerrero-Analco

The Mexican cloud forest harbors an exceptional diversity of vascular plants, most of which remain unexplored. Sida hyssopifolia C.Presl (Malvaceae) is reported for the first time in this ecosystem and was chemically characterized in this study. S. hyssopifolia methanolic extract showed in vitro inhibitory activity to α-amylase (αA, IC₅₀ = 0.02 mg/mL), α-glucosidase (αG, IC₅₀ < 1 × 10⁻⁶ mg/mL), and dipeptidyl peptidase-IV (DPP-IV, IC₅₀ = 0.92 mg/mL), and low acute toxicity in the Artemia salina test (LC₅₀ = 1.33 mg/mL). Using UPLC-MS/MS-based untargeted metabolomics, 550 metabolites were putatively annotated (MSI-levels 2–4). Paired comparisons between S. hyssopifolia vs. S. glabra and S. hyssopifolia vs. S. rhombifolia allowed the identification of 54 metabolites as exclusively accumulated in S. hyssopifolia (fold change ≥2; P ≤ 0.05). In addition, 18 metabolites were determined by OPLS-DA as the most important compounds in S. hyssopifolia compared to the related species (VIP-scores >1). The Bemis-Murcko scaffold analysis revealed potential enrichment in flavonoid glycosides and triterpene-related metabolites. Additionally, by UPLC-MS/MS-based targeted metabolomics it was confirmed the differential accumulation of 19 phenolic compounds (MSI-level 1). Furthermore, 13 accumulated compounds of S. hyssopifolia (MSI-levels 1–2, fold change ≥2, P ≤ 0.05) stood out since have been reported as αA, αG, and/or DPP-IV in vitro inhibitors. Integration of metabolomics and cheminformatics suggested S. hyssopifolia as a potential source of multi-target antidiabetic natural products. These findings provide insights into its chemotaxonomic character and underscore the significance of the Mexican cloud forest as a potential source of biologically active plants.

墨西哥的云雾森林蕴藏着极其多样的维管植物，其中大部分尚未被探索过。本研究在该生态系统中首次报道并对其进行了化学表征。美国hyssopifolia methanolic提取显示体外抑制活性α淀粉酶(α,IC50 =  0.02毫克/毫升),α葡糖苷酶(αG, IC50 50 =  0.92毫克/毫升),卤虫盐沼和低的急性毒性试验(LC50 =  1.33毫克/毫升)。使用UPLC-MS/MS-based非靶向代谢组学，对550种代谢物进行了推定注释（MSI标准水平2-4）。通过对深槐与光叶深槐、深槐与弯叶深槐的配对比较，鉴定出54种代谢物仅在深槐中积累（倍差≥2；P ≤ 0.05）。此外，通过OPLS-DA测定，18种代谢物与近缘种相比是最重要的化合物（vip评分为>.1）。Bemis-Murcko支架分析显示黄酮类苷和三萜相关代谢物可能富集。此外，通过UPLC-MS/MS-based靶向代谢组学，证实了19种酚类化合物的差异积累（MSI标准1级）。此外，有13个累积化合物（msi水平为1-2，倍数变化≥2，P ≤ 0.05）作为αA、αG和/或DPP-IV的体外抑制剂被报道。代谢组学和化学信息学的综合研究表明，金丝桃是多靶点抗糖尿病天然产物的潜在来源。这些发现提供了对其化学分类特征的见解，并强调了墨西哥云雾林作为生物活性植物潜在来源的重要性。

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引用次数: 0

Alstotriamine A, a triamino monoterpene indole alkaloid with an unprecedented pentacyclic caged skeleton and anti-inflammatory alkaloids from Alstonia mairei Alstotriamine A，一种具有前所未有的五环笼状骨架的三氨基单萜吲哚生物碱和抗炎生物碱，来自Alstonia marei。

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-18 DOI: 10.1016/j.fitote.2026.107099

Pengfei Jin , Guijuan Zheng , Yimiao Chen , Xinqiao Liu , Song Hu

A novel triamino monoterpene indole alkaloid, alstotriamine A (1), a new monoterpene indole alkaloid (2), and five known analogues (3–7) were isolated from the branches and leaves of Alstonia mairei. Their structures were elucidated via extensive spectroscopic methods and quantum chemical calculations including the ¹³C NMR-DP4+ analysis and electronic circular dichroism (ECD) calculations. Alstotriamine A (1), possessing an unprecedented pentacyclic caged skeleton incorporating with a third nitrogen atom, represents the first example of C-3 and C-17 cyclic corynanthe alkaloid, and a plausible biosynthetic pathway was proposed. Furthermore, compounds 1, 2, 5, and 7 displayed significant inhibitory effects on the LPS-induced NO production in RAW264.7 mouse macrophages with IC₅₀ values ranging from 4.6 to 16.2 μM, and the active compounds 2 and 5 dose-dependently decreased the levels of the pro-inflammatory cytokines TNF-α and IL-6.

从Alstonia marei的枝叶中分离得到了一种新的三氨基单萜吲哚生物碱alstotriamine A(1)、一种新的单萜吲哚生物碱alstotriamine A(2)和5种已知的类似物（3-7）。通过广泛的光谱方法和量子化学计算，包括13C NMR-DP4+分析和电子圆二色性（ECD）计算，阐明了它们的结构。Alstotriamine A(1)具有前所未有的含有第三个氮原子的五环笼状骨架，是第一个C-3和C-17环角缕草生物碱的例子，并提出了一种合理的生物合成途径。此外，化合物1、2、5和7对lps诱导的RAW264.7小鼠巨噬细胞NO生成具有显著的抑制作用，IC50值在4.6 ~ 16.2 μM之间，活性化合物2和5呈剂量依赖性地降低促炎细胞因子TNF-α和IL-6的水平。

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引用次数: 0

Nine feruloyltyramine derivatives and one pyrrole with hepatoprotective activity isolated from fresh Portulaca oleracea L. 新鲜马蹄苋中具有保肝活性的9个阿魏酰基胺衍生物和1个吡咯。

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-18 DOI: 10.1016/j.fitote.2026.107098

Hongqing Wang , Yaru Jiao , Jianbo Liu, Junhua Sun, Zhanrong Zhou, Ruoyun Chen, Jie Kang

Nine feruloyltyramine derivatives (1, 2, 4–10) and one pyrrole (3) were isolated from 70% EtOH extract of fresh Portulaca oleracea L.. Among them, compounds 1, 2 and 4 were cyclized feruloyltyramine derivatives, the other feruloyltyramine derivatives (5–10) were non-cyclized. Compounds 1 and 2 were racemic mixtures, and were separated into enantiomers 1-a (R), 1-b (S), 2-a (R) and 2-b (S), respectively. Three compounds (1–3) were new, and their structures were elucidated by UV, IR, HRESIMS, 1D and 2D NMR, and ECD spectra, as well as optical rotations. All the compounds (1−10) were tested for their hepatoprotective activity in vitro. At a concentration of 10 μM, three cyclized feruloyltyramine derivatives (1-a, 2-a and 4) possessed significant hepatoprotective activity against the damage induced by N-acetyl-para-aminophenol (APAP) in human HepG2 liver cancer cells, with cell survival rates of 63.61, 65.44 and 65.52%. It was suggested that the cyclized feruloyltyramine derivatives with R configuration had better hepatoprotective activity than that of S configuration and non-cyclized feruloyltyramine derivatives.

从新鲜马蹄苋70% EtOH提取物中分离得到9个阿魏乙胺衍生物（1,2,4 -10）和1个吡咯(3)。其中化合物1、2、4为环化阿魏酰乙胺衍生物，其余化合物（5 ~ 10）为非环化阿魏酰乙胺衍生物。化合物1和2为外消旋混合物，分别分离为对映体1-a (R)、1-b (S)、2-a (R)和2-b (S)。其中3个化合物（1-3）为新化合物，其结构通过UV、IR、hresms、1D和2D NMR、ECD光谱以及旋光性进行了鉴定。所有化合物（1-10）均进行了体外保肝活性试验。在10 μM浓度下，3种环化阿魏酰乙胺衍生物（1-a、2-a和4）对n -乙酰对氨基酚（n -acetyl-para- aminhenol， APAP）对人HepG2肝癌细胞的损伤具有显著的肝保护作用，细胞存活率分别为63.61、65.44和65.52%。结果表明，具有R构型的环化阿魏酰乙胺衍生物比S构型和非环化阿魏酰乙胺衍生物具有更好的肝保护活性。

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引用次数: 0

Anti-inflammatory polyketides produced by Antarctic-derived fungus Aspergillus ochraceopetaliformis SCSIO 05702 南极源真菌曲霉ochraceopaliformis SCSIO 05702产生的抗炎聚酮。

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-14 DOI: 10.1016/j.fitote.2026.107095

Meng-Jing Cong , Xue Ren , Zi-Yi Wu , Xiao-Yan Pang , Yong-Hong Liu , Peng Guo , Jun-Feng Wang

Five undescribed compounds (1–5), together with four known compounds (6–9) were isolated from the Antarctic-derived fungus Aspergillus ochraceopetaliformis SCSIO 05702. Their structures were elucidated by the nuclear magnetic resonance spectrum (NMR), mass spectrometry (MS). In addition, the absolute configurations of these compounds were determined by the combination of ECD and DP4⁺ calculations, chiral-phase HPLC analysis, Mosher's ester analysis and Mo₂(OAc)₄ induced circular dichroism method. Among them, 5 and 6 exhibited potent anti-inflammatory responses induced by LPS in RAW264.7 cells. Specifically, 5 and 6 were able to markedly inhibit the production of NO and pro-inflammatory cytokines including IL-6, TNF-α, and MCP-1 in RAW264.7 cells exposed to 0.1 μg/mL LPS. Moreover, they effectively upregulated the anti-inflammatory cytokines, such as IL-4, IL-10, and Arg-1 gene expression levels impaired by LPS without obvious cytotoxicity.

从南极来源的真菌Aspergillus ochraceopaliformis SCSIO 05702中分离得到5个未描述的化合物（1-5）和4个已知的化合物（6-9）。用核磁共振谱（NMR）、质谱（MS）对它们的结构进行了鉴定。此外，通过ECD和DP4+计算、手性相HPLC分析、Mosher酯分析和Mo2(OAc)4诱导圆二色法确定了这些化合物的绝对构型。其中，5和6在LPS诱导的RAW264.7细胞中表现出较强的抗炎反应。具体来说，5和6能够显著抑制暴露于0.1 μg/mL LPS的RAW264.7细胞中NO和促炎细胞因子IL-6、TNF-α和MCP-1的产生。此外，它们能有效上调抗炎细胞因子IL-4、IL-10和Arg-1基因表达水平，且无明显的细胞毒性。

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引用次数: 0

Aromatherapy with Chrysanthemum morifolium cv. Chuju essential oil alleviates allergic rhinitis by modulating the mTOR-PPARγ signaling cascade 菊花的芳香疗法。初菊精油通过调节mTOR-PPARγ信号级联减轻变应性鼻炎。

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-14 DOI: 10.1016/j.fitote.2026.107093

Huan Wang , Mu Zi Li , Min Zhang , Shuang E , Men Long , Shi Jun Yu , Shi Qi Xu , De Xin Dang

Conventional treatments for allergic rhinitis (AR), such as oral medications and nasal sprays, can effectively alleviate symptoms but often cause side effects, including potential organ damage and symptom relapse after discontinuation. Aromatherapy, a traditional approach used in respiratory care, offers a potentially safer and non-invasive alternative. This study aimed to investigate the therapeutic effects and molecular mechanisms of Chrysanthemum morifolium cv. Chuju essential oil-based aromatherapy (CJA) against AR using network pharmacology, in vivo experiments, molecular docking, and molecular dynamics simulations. Volatile compounds in Chuju essential oil were identified by gas chromatography–mass spectrometry. Network pharmacology analysis was employed to predict the overlapping targets between volatile constituents- and AR-related genes, followed by the construction of a protein-protein interaction network. Key hub genes were identified using the Molecular Complex Detection clustering algorithm. To validate the results of network pharmacology, an ovalbumin-induced AR mouse model was used to evaluate the therapeutic potential of CJA. Molecular biology assays were further performed to verify key targets. Molecular docking and molecular dynamics simulations were then conducted to investigate the binding affinity and stability between the major volatile compounds and their respective targets. Our results demonstrate that (−)-isolongifolol, acetate and (Z,E)-α-farnesene are the major bioactive volatile constituents of Chuju essential oil. These compounds appear to exert anti-inflammatory effects by regulating the mTOR-PPARγ signaling cascade, thereby alleviating AR symptoms in the mouse model. Collectively, these findings highlight the therapeutic potential of CJA as a promising natural intervention for managing AR.

变应性鼻炎（AR）的常规治疗方法，如口服药物和鼻喷雾剂，可以有效缓解症状，但往往会引起副作用，包括潜在的器官损伤和停药后症状复发。芳香疗法，一种用于呼吸系统护理的传统方法，提供了一种潜在的更安全、无创的替代方法。本研究旨在探讨菊花（Chrysanthemum morifolium cv）的治疗作用及其分子机制。采用网络药理学、体内实验、分子对接、分子动力学模拟等方法研究初菊精油芳香疗法（CJA）抗AR的疗效。采用气相色谱-质谱联用技术对楚菊精油中的挥发性成分进行了鉴定。利用网络药理学分析预测挥发性成分和ar相关基因之间的重叠靶点，然后构建蛋白质-蛋白质相互作用网络。利用分子复合体检测聚类算法对关键枢纽基因进行鉴定。为了验证网络药理学的结果，我们采用卵清蛋白诱导的AR小鼠模型来评估CJA的治疗潜力。进一步进行分子生物学实验验证关键靶点。然后进行分子对接和分子动力学模拟，研究主要挥发性化合物与各自靶标之间的结合亲和力和稳定性。结果表明，(-)-异长叶酚、乙酸酯和（Z，E）-α-法尼烯是楚菊精油的主要生物活性挥发性成分。这些化合物似乎通过调节mTOR-PPARγ信号级联发挥抗炎作用，从而减轻小鼠模型中的AR症状。总的来说，这些发现强调了CJA作为一种有希望的治疗AR的自然干预措施的治疗潜力。

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