Fitoterapia最新文献_第2页

Botrychium ternatum, the Hmong medicinal flora, improves acetaminophen-induced hepatic injury by inhibiting the abnormal activation of the B cell receptor signaling pathway Botrychium ternatum是一种苗族药用植物，通过抑制B细胞受体信号通路的异常激活来改善对乙酰氨基酚诱导的肝损伤。

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-23 DOI: 10.1016/j.fitote.2026.107096

Tao Chen , Ya-Ru Yang , Ming-Hui He , Xu Zhang , Shang-Gao Liao , Zhu Zeng , Yun-Guang Long , Yan Lin , Bo Tu

Aim of study

This study investigated the hepatoprotective effects of BT, its chemical composition, correlations with target components, and mechanisms underlying acetaminophen (APAP)-induced liver injury.

Materials and methods

APAP-induced injury models were established using HepG2 cells and C57BL/6 mice. Cell viability, cytotoxicity, levels of pro-inflammatory cytokines (IL-1β, TNF-α), apoptosis, and proliferation were evaluated through CCK-8, ELISA, flow cytometry, and EDU staining. In C57BL/6 mice model, measurements included body weight, liver index, serum levels of transaminases (ALT, AST) and ALP, and hepatic histopathology via H&E staining. Key signaling pathways were identified through RNA sequencing, KEGG/GO enrichment analyses, RT-qPCR, and Western blotting (WB). Chemical components of BT were analyzed using UHPLC-QE-Orbitrap HRMS, with subsequent molecular docking and dynamics simulations for studying component-target interactions.

Results

The findings indicated that BT (25/100 μg/mL in cells; 50/100/200 mg/kg in C57BL/6 mice model) significantly enhanced cell viability, reduced inflammatory cytokine levels and apoptosis, mitigated liver damage, and lowered serum enzyme levels in a dose-dependent manner. The B-cell receptor (BCR) signaling pathway emerged as crucial based on RNA sequencing, which was confirmed by WB and RT-qPCR. Analysis revealed forty-five compounds in BT, with kaempferitrin demonstrating consistent binding to LYN kinase (a key BCR pathway target) throughout 100 ns simulations.

Conclusions

In summary, BT demonstrates substantial hepatoprotective effects, potentially by suppressing the BCR signaling pathway, with kaempferitrin identified as a critical bioactive component targeting LYN kinase.

研究目的：本研究探讨了BT的肝保护作用、其化学成分、与靶成分的相关性以及对乙酰氨基酚（APAP）诱导肝损伤的机制。材料和方法：采用HepG2细胞和C57BL/6小鼠建立apap诱导的损伤模型。通过CCK-8、ELISA、流式细胞术和EDU染色评估细胞活力、细胞毒性、促炎细胞因子（IL-1β、TNF-α）水平、凋亡和增殖。C57BL/6小鼠模型测定体重、肝脏指数、血清转氨酶（ALT、AST、ALP）水平，H&E染色观察肝脏组织病理学变化。通过RNA测序、KEGG/GO富集分析、RT-qPCR和Western blotting （WB）鉴定关键信号通路。利用UHPLC-QE-Orbitrap HRMS分析了BT的化学成分，并进行了分子对接和动力学模拟，研究了组分与靶标的相互作用。结果：BT（细胞中25/100 μg/mL； C57BL/6小鼠模型中50/100/200 mg/kg）显著提高细胞活力，降低炎症细胞因子水平和细胞凋亡，减轻肝损伤，降低血清酶水平，呈剂量依赖性。基于RNA测序，WB和RT-qPCR证实了b细胞受体（BCR）信号通路是至关重要的。分析显示，在100次 ns模拟中，BT中有45种化合物，其中山柰素与LYN激酶（一个关键的BCR通路靶点）结合一致。结论：总之，BT显示出实质性的肝保护作用，可能是通过抑制BCR信号通路，山奈霉素被鉴定为针对LYN激酶的关键生物活性成分。

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引用次数: 0

Yiqi Huoxue formula attenuates pressure overload-induced chronic heart failure with insomnia via regulation of RORα-mediated mitochondrial fuction 益气活血方通过调节r α介导的线粒体功能减轻压力超负荷引起的慢性心力衰竭伴失眠。

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-23 DOI: 10.1016/j.fitote.2026.107107

Yangyang Lin , Yangxian Chen , Zhekai Huang , Junping Kou , Libao Rong , Fang Li , Lan Gao

Yiqi Huoxue (YQHX) formula is an empirical prescription for the treatment of qi deficiency and blood stasis syndrome in traditional Chinese medicine (TCM). Qi deficiency and blood stasis is one of the typical TCM syndromes in heart failure. However, little is known about the mechanism of the YQHX formula in treating heart failure patients with qi deficiency and blood stasis syndrome. This study aimed to systematically investigate the therapeutic mechanisms of YQHX formula in heart failure with comorbid insomnia. HPLC-Q-TOF-MS/MS analysis identified twenty-one bioactive components in the YQHX formula, including caffeic acid, hydroxysafflor yellow A, and salvianolic acid B. Research results in vivo revealed that treatment with YQHX formula significantly improved cardiac function and alleviated myocardial injury in the mice model of TAC-induced HF. Meanwhile, YQHX formula effectively suppressed pressure overload-induced cardiac hypertrophy and significantly ameliorated insomnia and anxiety-like behaviors through modulation of neurotransmitter systems. Mechanistically, YQHX formula upregulated RORα expression, thereby facilitating mitophagy and restoring mitochondrial dynamics homeostasis. Consistent with these in vivo findings, in vitro experiments demonstrated that YQHX formula markedly inhibited Ang II-induced cardiomyocyte hypertrophy, enhanced mitochondrial membrane potential (ΔΨm), reduced reactive oxygen species (ROS) production and preserved mitochondrial structural integrity. Our findings identify the promotion of the RORα pathway as the underlying mechanism through which the YQHX formula alleviates heart failure and comorbid insomnia, offering new insights into the prevention and treatment of cardiovascular diseases accompanied by sleep disturbances.

益气活血方是中医治疗气虚血瘀证的经验方。气虚血瘀是心衰的典型中医证型之一。然而，对益气补血方治疗心衰气虚血瘀证的作用机制知之甚少。本研究旨在系统探讨益芪泻方治疗心衰伴失眠的作用机制。HPLC-Q-TOF-MS/MS分析鉴定出咖啡酸、羟基红花黄A、丹酚酸b等21种生物活性成分。体内实验结果显示，经YQHX方处理后，tac诱导HF模型小鼠心功能明显改善，心肌损伤明显减轻。同时，YQHX方通过调节神经递质系统，有效抑制压力超负荷引起的心肌肥厚，显著改善失眠和焦虑样行为。在机制上，YQHX方上调了rora的表达，从而促进线粒体自噬，恢复线粒体动力学稳态。与这些体内研究结果一致，体外实验表明，YQHX配方显著抑制Ang ii诱导的心肌细胞肥大，增强线粒体膜电位（ΔΨm），减少活性氧（ROS）的产生，并保持线粒体结构完整性。本研究发现，益芪泻方改善心衰和共病性失眠的机制可能与促进RORα通路有关，为预防和治疗伴有睡眠障碍的心血管疾病提供了新的思路。

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引用次数: 0

Three new polyhydroxy-chlorinated dibenzo-α-pyrones isolated from Helicosporium sexuale LZ15 从性螺旋孢LZ15中分离得到三个新的多羟基氯化二苯并α-吡咯酮类化合物

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-22 DOI: 10.1016/j.fitote.2026.107112

Li-Juan Zhang , Xiao-Yan Ma , Mei-Yan Han , De-Ge Zheng , Jian Ma , Xing-Juan Xiao , Ruvishika S. Jayawardena , Ausana Mapook , Kevin D. Hyde , Yong-Zhong Lu

Three new chlorine-substituted dibenzo-α-pyrone derivatives, helicochlorins A–C (1–3), together with three known congeners (4–6), were isolated from fermented rolled oats culture of Helicosporium sexuale LZ15. Helicochlorins A–C (1–3) share a polyhydroxy-chlorinated fused isocoumarin framework, characterized primarily by a chlorine substituent on the fused-ring system. The structures of the new compounds were unambiguously elucidated by comprehensive spectroscopic analyses (1D and 2D NMR, HRESIMS) and further confirmed through NOE correlations and ECD calculations. In addition, the crystal structure of compound 4 was determined for the first time. The cytotoxicity evaluation revealed that compound 2 exhibited weak activity against A549 cells, compound 5 showed weak activity against HepG2 cells, while compound 4 demonstrated weak cytotoxicity toward both A549 and HepG2 cell lines.

从发酵燕麦菌株Helicosporium sexuale LZ15中分离到3个新的氯取代二苯并α-吡咯酮衍生物——螺旋氯A-C（1-3）和3个已知的同族化合物（4-6）。螺旋氯a -c（1-3）具有多羟基氯化融合异香豆素框架，其主要特征是在融合环系统上有氯取代基。通过综合光谱分析（1D和2D NMR， hresms）明确了新化合物的结构，并通过NOE相关性和ECD计算进一步证实了它们的结构。此外，首次测定了化合物4的晶体结构。细胞毒性评价表明，化合物2对A549细胞具有弱活性，化合物5对HepG2细胞具有弱活性，而化合物4对A549和HepG2细胞均具有弱细胞毒性。

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引用次数: 0

New dihydrohomoisoflavones from Polygonatum sibiricum with neuroprotective activity 具有神经保护作用的新黄精二氢同型异黄酮。

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-22 DOI: 10.1016/j.fitote.2026.107110

Yuan-Yuan Zhu , Xin Meng , Qing-Shan Chen , Li-Li Zhang , Hai-Xue Kuang , Yang Liu , Juan Pan , Yan Liu

Six new dihydroisoflavones (1–6) along with eight congeners (7–9, 11–15) as well as a known chalcone derivative (10) were isolated from Polygonatum sibiricum. To enhance the specificity and efficiency of the separation process, a combination of MSDIAL and MassQL techniques was used alongside column chromatography with silica gel, ODS, and preparative HPLC. The structural elucidation of the compounds was accomplished via thorough spectral characterisation, encompassing techniques such as 1D and 2D NMR, HR-ESI-MS, IR, UV and ECD. These findings were further validated by comparing them with data from existing literature. Furthermore, the neuroprotective activity of all purified compounds was assessed using a PC12 cell model subjected to H₂O₂ induction. The results of our study indicated that compounds 2, 3, 5, 11, and 12 significantly alleviated H₂O₂-induced damage in PC12 cells, increasing cell viability to approximately 74%, 76%, 79%, 76%, and 72%, respectively, at 50 μM without exhibiting cytotoxicity.

从黄精中分离到6个新的二氢异黄酮（1-6）、8个同源物（7- 9,11 -15）和1个已知的查尔酮衍生物（10）。为了提高分离过程的特异性和效率，将MSDIAL和MassQL技术与硅胶柱层析、ODS和制备型高效液相色谱相结合。化合物的结构解析是通过全面的光谱表征完成的，包括1D和2D NMR， HR-ESI-MS， IR， UV和ECD等技术。通过与现有文献的数据比较，进一步验证了这些发现。此外，使用h2o2诱导的PC12细胞模型评估了所有纯化化合物的神经保护活性。我们的研究结果表明，化合物2、3、5、11和12显著减轻了h2o2诱导的PC12细胞损伤，在50 μM下，细胞存活率分别提高到约74%、76%、79%、76%和72%，而没有表现出细胞毒性。

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引用次数: 0

Diterpenoids from Euphorbia wallichii show anti-renal fibrosis potential with associated inhibition on TGF-β/Smad signaling pathway 大戟二萜类化合物通过抑制TGF-β/Smad信号通路显示抗肾纤维化潜力。

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-22 DOI: 10.1016/j.fitote.2026.107106

Ren-Fen Ma , Rui Cui , Qian Wu , Hua Zhang

Seven previously undescribed polycyclic diterpenoids, comprising four tiglianes (1–4), a daphnane (5) and two ingenanes (13 and 14), together with seven known tigliane (7–12) and six known ingenane (15–20) cometabolites, were isolated from the aerial parts of Euphorbia wallichii. The chemical structures of these compounds were elucidated through spectroscopic methods, mainly including mass spectrometry, nuclear magnetic resonance and electronic circular dichroism, and diterpenoids 1–6 feature interesting epoxy rings. Compounds 1, 7, 10, 12–14 and 18 showed promising suppressing effect on TGF-β1-induced upregulation of fibronectin (a biomarker of fibrosis) in human renal proximal tubular epithelial HK-2 cells. Further investigation demonstrated that compound 1 may exert anti-renal fibrosis potential with associated inhibition on TGF-β/Smad signaling pathway.

从大戟属（Euphorbia wallichii）的地上部分分离到7个已知的多环二萜类化合物，包括4个tigliane（1-4）、1个daphnane(5)和2个ingenane(13和14)，以及7个已知的tigliane（7-12）和6个已知的ingenane（15-20）共代谢物。通过质谱、核磁共振和电子圆二色等光谱方法对化合物的化学结构进行了分析，发现二萜类化合物1-6具有有趣的环氧环。化合物1、7、10、12-14和18对TGF-β1诱导的人肾近端小管上皮HK-2细胞中纤维连接蛋白（纤维化的生物标志物）的上调有良好的抑制作用。进一步研究表明，化合物1可能通过抑制TGF-β/Smad信号通路发挥抗肾纤维化作用。

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引用次数: 0

Indole alkaloids exhibiting hCE2 inhibitory activity from the roots of Paeonia lactiflora using a feature-based molecular network strategy 利用基于特征的分子网络策略从芍药根中提取吲哚类生物碱，显示hCE2抑制活性。

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-22 DOI: 10.1016/j.fitote.2026.107109

Qi He , Mei-Ru Han , Huan Xia , Qing Li , Xiao-Hong Wei , Gui-Yang Xia , Sheng Lin

By employing a molecular networking analysis strategy, we successfully guided the isolation of alkaloids from the ethyl acetate extract of Paeonia lactiflora roots. This approach led to the discovery of previously undescribed indole alkaloids, (+)/(−)-paeonialkaloid A [(+)/(−)-1], paeonialkaloids B and C (2 and 3), along with one known alkaloid (4). The structures were fully established through comprehensive spectroscopic methods, including 1D/2D NMR, HRESIMS, UV, IR, and theoretical calculations of electronic circular dichroism (ECD) spectra. Indole alkaloids have been rarely reported from the Paeonia genus. In this study, the discovery of (+)/(−)-1, 2 and 3 provides only the second report of such compounds. In addition, (+)-1, (−)-1, 2 and 3 are moderate inhibitors of human carboxylesterase 2 (hCE2), with IC₅₀ values of 13.65 ± 0.64, 13.92 ± 0.72, 14.45 ± 0.43, and 14.16 ± 1.05 μM, respectively, which was revealed through the molecular docking studies.

采用分子网络分析方法，成功地从芍药根乙酸乙酯萃取物中分离出生物碱。这种方法导致发现了以前未描述的吲哚生物碱，(+)/(-)-芍药生物碱A[(+)/(-)-1]，芍药生物碱B和C(2和3)，以及一种已知的生物碱(4)。通过1D/2D NMR、hresms、UV、IR以及电子圆二色（ECD）光谱的理论计算等综合光谱方法，全面建立了结构。从芍药属植物中提取吲哚类生物碱的报道很少。在这项研究中，(+)/(-)- 1,2和3的发现只是这类化合物的第二次报道。此外,(+)1(-)1、2和3是温和的人类羧酸酯酶2抑制剂(hCE2),与IC₅₀ 值13.65±0.64 ,13.92 ± 0.72,14.45 ± 0.43,和14.16 ±1.05  μM,分别显示通过分子对接研究。

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引用次数: 0

Vasorelaxation and antihypertensive activity of standardized extract of Gymnema sylvestre in rodent model 匙羹藤标准提取物对啮齿动物的血管舒张及降压作用。

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-22 DOI: 10.1016/j.fitote.2026.107111

Poonam Rani , Deepak Kumar , Kumari Savita , Divya Mishra , Shweta Parashar , Palak Singh , Manisha Yadav , Feroz Khan , Madhav Nilakath Mugale , Prasant Kumar Rout , Debabrata Chanda

Gymnema sylvestre (GS) leaf extract is one of the most important functional food indicated for management of diabetes, obesity and associated disorders and is also indicated in Ayurveda for heart diseases. Although the plant is currently under intense exploration for its therapeutic potential in cardiometabolic diseases but efficacy against hypertension and in inducing vasorelaxation in vasculature was never well explored. The present study envisaged vasorelaxation and antihypertensive activity of biomarkers enriched extract (Gym-cit) in rodent model. When given at 30 mg kg⁻¹, 100 mg kg⁻¹ and 300 mg kg⁻¹ once orally for 14-days, Gym-cit significantly decreased the systolic, diastolic and mean arterial pressure in SHR. GS biomarkers like Gymnemagenin (GMN), Deacyl gymnemic acid (DAC), Gymnemic acid IV (GA IV) and standardized extract exhibited concentration dependent vasorelaxation in ex-vivo model in mesenteric artery. Gymnemagenin (GMN) exhibited maximum vasorelaxation potential (E_max; 59.44 ± 1.88; n = 6), putatively through opening of BK_Ca channel and blocking of L-type voltage dependent calcium channel in vascular smooth muscle. Gym-cit showed decent vasorelaxation response and significant antihypertensive activity in SHRs with significant decrease in systolic, diastolic and mean arterial pressure. The study suggests great promise in Gym-cit against cardiometabolic diseases associated with hypertension.

Gymnema sylvestre （GS）叶提取物是最重要的功能性食品之一，用于治疗糖尿病、肥胖和相关疾病，在阿育吠陀医学中也用于治疗心脏病。虽然目前对其治疗心脏代谢疾病的潜力进行了大量的探索，但对高血压和诱导血管舒张的功效却从未得到很好的探索。本研究设想了生物标志物富集提取物（Gym-cit）在啮齿动物模型中的血管松弛和降压活性。服用30 mg kg-1、100 mg kg-1和300 mg kg-1口服14天，Gym-cit可显著降低SHR的收缩压、舒张压和平均动脉压。在离体肠系膜动脉模型中，GS生物标志物如裸子素（GMN）、脱酰基裸子酸（DAC）、裸子酸IV （GA IV）和标准化提取物均表现出浓度依赖性血管松弛。Gymnemagenin （GMN）表现出最大的血管舒张电位（Emax; 59.44 ± 1.88;n = 6），推测是通过打开血管平滑肌BKCa通道和阻断l型电压依赖性钙通道实现的。gym - citit在shr患者中表现出良好的血管松弛反应和显著的降压活性，收缩压、舒张压和平均动脉压均显著降低。这项研究表明，gym - city对高血压相关的心脏代谢疾病有很大的帮助。

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引用次数: 0

Comparative analysis of phytochemical profile and traditional pharmacological activities of Fritillaria anhuiensis and five Chinese medicinal herbs Fritillariae Bulbus 安徽贝母与五种中草药贝母的植物化学特征及传统药理活性比较分析。

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-22 DOI: 10.1016/j.fitote.2026.107108

Yufeng Zhang , Zeqian Ma , Lu Cheng , Chengwu Fang , Yuehao Zhu , Shoujin Liu , Han Luo

Background

More than two thousand years ago, the bulbs of vegetal species in the genus Fritillaria were used to relieve cough and expectoration, they are also used in clinical treatments for antitussive and expectoration and anti-inflammation due to their extensive pharmacological activities currently. This study aims to analyze the differences in bioactive characteristic metabolites and traditional pharmacological activity between F. anhuiensis and the other five types of Fritillaria species included in Pharmacopoeia of People's Republic of China.

Methods

UHPLC-Q-Orbitrap-MS was employed to acquire mass spectrometry data from six species of Fritillaria. Principal component analysis and multivariate statistical analysis were applied to compare the differences in bioactive characteristic components between F. anhuiensis and other Fritillaria species. For pharmacological evaluation, a mouse model was utilized to systematically assess the antitussive, expectorant, and anti-inflammatory effects of F. anhuiensis in comparison with other Fritillaria species, through ammonia-induced cough tests, tracheal phenol red excretion experiments, and auricle swelling assays.

Results

A total of 153 compounds were identified in six species of Fritillaria. Cluster analysis indicated that F. anhuiensis was segregated as a separate category. Comparative analysis revealed 28 differential metabolites in F. anhuiensis compared to other Fritillaria species, the number of alkaloid metabolites is the majority. In traditional pharmacological studies, F. anhuiensis exhibited antitussive effects comparable to that of F. cirrhosa and superior to that of other Fritillaria species. Its expectorant activity was comparable to that of F. thunbergii and more pronounced than that of other Fritillaria species. With regard to anti-inflammatory effects, F. anhuiensis demonstrated the most potent inhibition of xylene-induced auricle swelling and showed efficacy comparable to F. cirrhosa in reducing the levels of anti-inflammatory factors in the serum of mouse, significantly outperforming other species within the genus.

Discussion

In contrast to other Fritillaria species, F. anhuiensis presented specificity in its chemical characteristics and demonstrated excellent antitussive, expectorant, and anti-inflammatory effects in traditional pharmacological activity experiments. This study provides solid scientific evidence for the substitution of F. anhuiensis for other Fritillaria species.

背景：早在两千多年前，贝母属植物的球茎就被用于止咳祛痰，目前由于其广泛的药理活性，也被用于临床治疗止咳祛痰和抗炎。本研究旨在分析安徽贝母与中华人民共和国药典收录的其他五种贝母在生物活性特征代谢物和传统药理活性方面的差异。方法：采用UHPLC-Q-Orbitrap-MS对6种贝母进行质谱分析。采用主成分分析和多元统计分析比较安徽贝母与其他贝母品种生物活性特征成分的差异。药理学评价方面，采用小鼠模型，通过氨致咳嗽实验、气管酚红排泄实验和耳廓肿胀实验，系统评价安徽贝母与其他贝母的止咳、祛痰、抗炎作用。结果：从贝母属6种中共鉴定出153个化合物。聚类分析表明，安徽赤杨被分离为一个单独的分类。对比分析发现安徽贝母的28种代谢物与其他贝母种类相比存在差异，其中生物碱代谢物数量最多。在传统药理学研究中，安徽贝母的止咳作用与肝硬化贝母相当，优于其他贝母品种。其祛痰作用与浙贝母相当，比其他贝母品种更明显。在抗炎作用方面，安徽黄芪对二甲苯诱导的耳膜肿胀的抑制作用最强，其降低小鼠血清中抗炎因子水平的效果与肝硬化黄芪相当，明显优于属内其他物种。讨论：与其他贝母物种相比，安徽贝母具有特异性的化学特性，在传统药理活性实验中表现出优异的止咳、祛痰、抗炎作用。本研究为安徽贝母替代其他贝母物种提供了坚实的科学依据。

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引用次数: 0

Auslactones A−E, austalide meroterpenoids from Aspergillus ustus NRRL 275 牛曲霉nrrl275中的牛内酯A-E，牛曲霉烯萜类化合物。

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-21 DOI: 10.1016/j.fitote.2026.107105

Lin Liu , Yinhui Zhou , Shu-Ming Li , Hanli Ruan

Five new austalide meroterpenoids, named auslactones A − E (1–5), one new natural product (6), together with ten known analogues (7–16), were isolated from the fungus Aspergillus ustus NRRL 275. Auslactones A − B (1–2) represent a class of austalides containing 5/6/6/6/6/5 hexacyclic ring with a hydroxymethyl group at C-15. Auslactones C − D (3–4) enrich the type of 5/6/6/6/5/6/5 heptacyclic austalides. Auslactone E (5) contains 5/6/6/6 tetracyclic ring system. Meanwhile, the NMR data of auslactone F (6) were reported for the first time. Their structures were elucidated by extensive spectroscopic analysis. The absolute configuration of compound 1 was established by single-crystal X-ray diffraction, whereas those for the others were established by circular dichroism (CD) data analysis. No cytotoxic or immunosuppressive activity was found for compounds 1–6.

从真菌Aspergillus usstus NRRL 275中分离得到5个新的austalide meroterpenoids，命名为auslactones A - E(1-5)， 1个新的天然产物(6)和10个已知的类似物（7-16）。ausallactones A - B（1-2）代表了一类含有5/6/6/6/ 5六环并在C-15上有一个羟基甲基的austalides。Auslactones C - D（3-4）丰富了5/6/6/6/5/6/5七环austalides的类型。奥内酯E(5)含有5/6/6/6四环环体系。同时，首次报道了auslactone F(6)的NMR数据。它们的结构通过广泛的光谱分析得以阐明。化合物1的绝对构型由单晶x射线衍射确定，其余化合物的绝对构型由圆二色性（CD）数据分析确定。化合物1 ~ 6无细胞毒性或免疫抑制活性。

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引用次数: 0

Potential of ethyl acetate and acetone extracts from Montrichardia linifera leaves: Chemical characterization, in vitro study, molecular docking ad ADME-TOX 蒙地茅叶乙酸乙酯和丙酮提取物的潜力：化学表征、体外研究、分子对接和ADME-TOX

IF 2.6 3区医学 Q3 CHEMISTRY, MEDICINAL

Fitoterapia

Pub Date : 2026-01-20 DOI: 10.1016/j.fitote.2026.107094

Cleiane Dias Lima , Marcelo da Costa Mota , Raimundo Leilton Santos Sousa , Luma Brisa Pereira dos Santos , Paulo Sérgio de Araujo Sousa , Raiza Raianne Luz Rodrigues , Klinger Antônio da Franca Rodrigues , Md Shimul Bhuia , Muhammad Torequl Islam , Alyne Rodrigues de Araújo-Nobre , Cláudia Quintino da Rocha , Jefferson Almeida Rocha

Leishmaniasis is a neglected tropical disease that affects millions of people worldwide, and current treatments are limited by toxicity and increasing parasite resistance, highlighting the need for new therapeutic agents. Montrichardia linifera, a plant used in traditional medicine, has shown relevant antiparasitic potential. This study evaluated the antileishmanial activity of acetone (EAMl), ethyl acetate (EAEMl), and ethanolic (EEMl) extracts of M. linifera. Chemical characterization was performed by liquid chromatography–mass spectrometry (LC–MS), and complementary in silico ADME/Tox predictions and molecular docking analyses were conducted. Antileishmanial activity was assessed against Leishmania (L.) major promastigotes using the MTT assay, and ultrastructural alterations were analyzed by atomic force microscopy (AFM). LC–MS results showed that EAEMl was the most chemically diverse extract, with quercetin identified as a major constituent. EAEMl exhibited the highest antipromastigote activity, with an IC₅₀ value of 20.30 μg/mL. AFM analysis revealed severe morphological damage in treated parasites, including membrane disruption and cell retraction. In silico analyses indicated favorable pharmacokinetic profiles for the main compounds. Molecular docking identified corilagin as the compound with the strongest affinity for pteridine reductase 1 (PTR1; PDB ID: 1E7W), with a binding energy of –10.9 kcal/mol. Overall, these findings demonstrate that M. linifera extracts, particularly those rich in phenolic compounds, exhibit promising antileishmanial activity, supporting their potential as sources of new therapeutic candidates.

利什曼病是一种被忽视的热带病，影响着全世界数百万人，目前的治疗受到毒性和寄生虫耐药性增加的限制，这突出表明需要新的治疗药物。传统药用植物蒙卡迪亚（Montrichardia linifera）显示出相应的抗寄生虫潜力。摘要本研究评价了黄皮草丙酮（EAMl）、乙酸乙酯（EAEMl）和乙醇（EEMl）提取物的抗利什曼原虫活性。通过液相色谱-质谱（LC-MS）进行化学表征，并进行互补的计算机ADME/Tox预测和分子对接分析。采用MTT法测定其抗利什曼原虫（L.）的活性，并用原子力显微镜（AFM）观察其超微结构变化。LC-MS结果表明，EAEMl是化学成分最多样化的提取物，槲皮素是其主要成分。EAEMl具有最高的抗promastigote活性，IC₅0值为20.30 μg/mL。AFM分析显示，处理后的寄生虫出现了严重的形态学损伤，包括膜破坏和细胞收缩。硅分析表明，主要化合物具有良好的药代动力学特征。分子对接鉴定出corilagin是对蝶啶还原酶1 （PTR1; PDB ID: 1E7W）亲和力最强的化合物，结合能为-10.9 kcal/mol。总的来说，这些发现表明，亚麻荠提取物，特别是那些富含酚类化合物的提取物，表现出有希望的抗利什曼原虫活性，支持它们作为新治疗候选物的潜力。

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