Pharmacological Research - Natural Products最新文献_第3页

Bioactive compounds in Brassica juncea: A systematic review on biomedical potential and drug discovery pathways 芥菜中的生物活性化合物：生物医学潜力和药物发现途径的系统综述

Pharmacological Research - Natural Products

Pub Date : 2026-01-15 DOI: 10.1016/j.prenap.2026.100514

A. Ibeyaima , Anupriya Borah , Prasenjit Manna

Local people in India have traditionally used Brassica juncea to treat various permutations. This practice opens a pathway to drug discovery. Drug discovery is one of the major challenges faced during this era globally. In the pipeline of drug discovery, exploring bioactive compounds from the unutilized sources could be an immense contribution. This review is literature survey based compilation of B. juncea and its bioactive compounds in order to validate the bioactive compounds for biomedical applications. This review highlights the importance of bioactive compounds in B. juncea and its health benefits, as well as nutraceutical aspects of B. juncea of India. B. juncea is rich in vitamins, minerals, dietary fiber, chlorophylls, and glucosinolates. The nutraceutical properties of B. juncea have also been reported. Notably B. juncea can be used for plant biofortification. There is an urgent need to explore such unutilized resources for discovering the novel and potential bioactive compound(s) to combat the global issues of human health complications. The findings of this review serve as benchmarks for the development, investigation of active compounds, and utilization of B. juncea, a bio-resource of India, since very limited studies have been reported. The way of consuming B. juncea by different localities has been documented and reported its various health benefits. Further studies are needed for proper documentation through various literature surveys following extensive experimental work in order to validate the presence of potential bioactive compounds in B. juncea.

印度当地人传统上使用芥菜来治疗各种排列。这种做法为药物发现开辟了一条途径。药物发现是这个时代全球面临的主要挑战之一。在药物发现的管道中，从未利用的资源中探索生物活性化合物可能是一个巨大的贡献。本文在文献综述的基础上对芥菜及其活性成分进行了综述，以验证其在生物医学上的应用价值。本文综述了印度芥菜中生物活性成分的重要性及其对健康的益处，以及印度芥菜的营养保健作用。芥菜富含维生素、矿物质、膳食纤维、叶绿素和硫代葡萄糖苷。芥菜的营养保健性质也有报道。值得注意的是，芥菜可用于植物生物强化。迫切需要探索这些未利用的资源，以发现新的和潜在的生物活性化合物，以对抗人类健康并发症的全球性问题。本文的研究结果可为印度生物资源芥菜的开发、活性成分的研究和利用提供参考。不同地区食用芥菜的方式已被记录并报道了其各种健康益处。为了验证芥菜中潜在的生物活性化合物的存在，需要进一步的研究，通过各种文献调查和广泛的实验工作来进行适当的文献记录。

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引用次数: 0

NOX4-mediated oxidative stress in diabetic complications: Potential of natural products nox4介导的氧化应激在糖尿病并发症：潜在的天然产物

Pharmacological Research - Natural Products

Pub Date : 2026-01-14 DOI: 10.1016/j.prenap.2026.100515

Sachin Sharma , Ashwani Mittal , Manjusha Choudhary

Purpose

NOX4, an isoform of NADPH oxidases, is the inducer of free radicals and downstream regulates mRNA expression, protein expression of different pathological targets, and modulates the inflammatory, fibrotic, apoptotic pathways, especially during a high glycosidic milieu. This review discusses the various regulatory factors that govern NOX4 regulation in response to hyperglycemia and its pathophysiological role in diabetic microvascular complications, with a special emphasis on natural NOX4 inhibitors in the treatment of diabetic complications.

Methodology

We performed the extensive literature survey and retrieved the all-available data associated with NOX4, its regulators, pathophysiological role in diabetes and complication and Nox4 inhibitors by using the keywords “NOX4, diabetes, diabetic complication, inhibitors” from the different primary databases.

Conclusion

This study concludes that hyperglycemia induced NOX4 upregulation induced by diverse regulatory factors including PKC, VEGF, MAPK, ERK, NF-қB, and TGF-β etc., caused the glomerulopathy (podocytopathy, glomerulosclerosis, basement membrane thickening and fibrosis) and tubular aberrations in diabetic kidney, while cardiac aberrations include cardiac remolding, cardiac dysfunction, and cardiac lipid metabolism aberrations. In addition, retinal NOX4 activation results in abnormal angiogenesis, increased retinal vascular permeability and reduced cellular integrity in eyes. Moreover, few investigations reported that NOX4 upregulation also leads to neuron loss, and allodynia related to diabetic neuropathy. Furthermore, NOX4 inhibition, either direct or indirect, by medicinal plants, herbal formulations and plant’s bioactive restores redox signaling and its regulated pathways, leading to diabetic complication amelioration. This study also emphasizes that future NOX4 research should focus on the pharmacokinetic and pharmacodynamic profiles of natural NOX4 inhibitors and their targeted delivery in the biological system.

目的：enox4是NADPH氧化酶的一种异构体，是自由基的诱导剂，下游调节不同病理靶点的mRNA表达、蛋白表达，并调节炎症、纤维化、凋亡通路，特别是在高糖苷环境下。本文综述了多种调控NOX4对高血糖反应的调控因子及其在糖尿病微血管并发症中的病理生理作用，特别强调了天然NOX4抑制剂在糖尿病并发症治疗中的作用。方法以“NOX4，糖尿病，糖尿病并发症，抑制剂”为关键词，从不同的主要数据库中检索与NOX4、其调节因子、在糖尿病及其并发症中的病理生理作用和NOX4抑制剂相关的所有可用数据。结论高血糖诱导的NOX4上调由PKC、VEGF、MAPK、ERK、NF-қB、TGF-β等多种调节因子引起，可引起糖尿病肾的肾小球病变（足细胞病、肾小球硬化、基底膜增厚和纤维化）和肾小管畸变，心脏畸变包括心脏重塑、心功能障碍和心脏脂质代谢畸变。此外，视网膜NOX4激活导致眼睛血管生成异常，视网膜血管通透性增加，细胞完整性降低。此外，很少有研究报道NOX4上调也会导致神经元丢失，以及与糖尿病神经病变相关的异常性疼痛。此外，通过药用植物、草药制剂和植物生物活性直接或间接抑制NOX4，可恢复氧化还原信号及其调控通路，从而改善糖尿病并发症。本研究还强调，未来的NOX4研究应关注天然NOX4抑制剂的药代动力学和药效学特征及其在生物系统中的靶向递送。

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引用次数: 0

Biotransformed citrus extract counteracts oxidative stress in THP-1 macrophages and Caenorhabditis elegans via Nrf2/SKN-1 dependent mechanisms 生物转化柑橘提取物通过Nrf2/SKN-1依赖机制抵消THP-1巨噬细胞和秀丽隐杆线虫的氧化应激

Pharmacological Research - Natural Products

Pub Date : 2026-01-13 DOI: 10.1016/j.prenap.2026.100501

Alice König , Georg Sandner , Gerald Klanert , Lisa Pühringer , Tina Karimian , Jonas Schurr , Kostas Syriopoulos , Rolf Tona , Julian Weghuber

Evidence suggests that citrus flavonoids activate nuclear factor erythroid 2-related factor 2 (Nrf2) that regulates cellular defense against oxidative damage. The effects of citrus flavonoids on the homologous transcription factor skinhead-1 (SKN-1) in the nematode Caenorhabditis elegans are insufficiently studied. Here, we investigated the molecular mechanisms behind the biological activity of a biotransformed citrus extract (FermCAE) and related flavonoids in THP-1 macrophages and in C. elegans. FermCAE upregulated the expression of the Nrf2 target genes heme oxygenase 1 (HMOX1) and NAD(P)H-quinone oxidoreductase 1 (NQO1) in THP-1 macrophages. The formation of excessive reactive oxygen species (ROS) was reduced in stressed cells and nematodes. Transcriptome analysis further indicated that FermCAE modulates stress-response pathways in C. elegans, particularly mitochondrial energy metabolism, nucleotide biosynthesis and ribosome biosynthesis, correlating with improved worm motility and reduced ROS levels. Notably, FermCAE could counteract the paraquat-induced reduction in worm motility in wild-type worms but not in SKN-1 loss-of-function mutants. An elevated GCS-1P::GFP signal in transgenic nematodes further confirmed SKN-1 involvement. These findings suggest that FermCAE protects against oxidative stress by inducing Nrf2/SKN-1 and modulating energy and metabolic pathways to enhance stress resilience.

有证据表明，柑橘类黄酮激活核因子红系2相关因子2 (Nrf2)，调节细胞防御氧化损伤。柑橘类黄酮对秀丽隐杆线虫同源转录因子skinhead-1 （SKN-1）的影响研究尚不充分。在这里，我们研究了生物转化柑橘提取物（FermCAE）和相关黄酮类化合物在THP-1巨噬细胞和秀丽隐杆线虫中生物活性的分子机制。FermCAE上调THP-1巨噬细胞中Nrf2靶基因血红素加氧酶1 （HMOX1）和NAD(P) h -醌氧化还原酶1 （NQO1）的表达。过度活性氧（ROS）的形成在应激细胞和线虫中减少。转录组分析进一步表明，FermCAE调节秀丽隐杆线虫的应激反应途径，特别是线粒体能量代谢、核苷酸生物合成和核糖体生物合成，与蠕虫运动能力改善和ROS水平降低相关。值得注意的是，FermCAE可以抵消百草枯引起的野生型蠕虫运动减少，但在SKN-1功能丧失突变体中不起作用。转基因线虫中GCS-1P::GFP信号的升高进一步证实了SKN-1的参与。这些研究结果表明，FermCAE通过诱导Nrf2/SKN-1和调节能量和代谢途径来增强应激恢复能力，从而防止氧化应激。

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引用次数: 0

Medicinal plants for helminth treatment in Assam: Bridging indigenous knowledge with pharmacological research 阿萨姆邦治疗寄生虫的药用植物：将土著知识与药理学研究联系起来

Pharmacological Research - Natural Products

Pub Date : 2026-01-13 DOI: 10.1016/j.prenap.2026.100508

Arupjyoti Konwar, Rajesh Kumar Shah

Assam, a biodiversity hotspot in Northeast India, harbors a rich tradition of medicinal plant use among its tribal communities. These plants are widely employed to treat helminth infections, yet scientific validation remains limited. Bridging traditional knowledge with modern pharmacology can provide effective, affordable and sustainable plant-based anthelmintics. The main objective of this review is to compile ethnobotanical knowledge of medicinal plants used against helminth infections in Assam and to critically evaluate available pharmacological evidence for identifying promising candidates for drug development. A comprehensive review was conducted using Google Scholar, PubMed, ResearchGate, NISCAIR and Scopus with keywords including “Indigenous medicinal plants of Assam,” “Worm infection,” “Anthelmintic,” “Ethnobotany,” “Ethnomedicine” and “Pharmacological activity”. In this study, 42 manuscripts between May 2006 and June 2025 have been reviewed and analyzed. Data on plant species, tribal use, parts used, preparation, administration and pharmacological validation were extracted. Ethnobotanical and pharmacological data were also categorized to compare traditional knowledge with scientific validation. A total of 149 plant species from 115 genera and 63 families were documented with Fabaceae, Rutaceae, Solanaceae and Lamiaceae being the most represented. Leaves were the most frequently used plant part, followed by fruits, roots and seeds. Traditional preparations primarily involved raw consumption, decoctions and juices, predominantly administered orally. Among documented species, only a small fraction has been pharmacologically validated, with 87.29 % evaluated in vitro, 5.93 % in vivo and 6.78 % using both approaches. Bioactive principles such as azadirachtin, embelin andrographolide, mimosine and eugenol exhibited significant anthelmintic activity. Assam’s ethnomedicinal flora presents a valuable, yet underexplored, resource for developing plant-based anthelmintics. Some of the key target species were Azadirachta indica A. Juss., Cassia fistula L. and Clerodendrum infortunatum L. and these species had an encouraging anthelmintic activity. Assam’s ethnomedicinal flora has tremendous potential for developing new anthelmintics and future studies must focus on pharmacological validation, isolation of active compounds, toxicity assessment to translate traditional knowledge to develop effective clinical therapies.

阿萨姆邦是印度东北部生物多样性的热点地区，其部落社区拥有丰富的药用植物传统。这些植物被广泛用于治疗蠕虫感染，但科学验证仍然有限。将传统知识与现代药理学相结合，可以提供有效、负担得起和可持续的植物驱虫药。本综述的主要目的是汇编阿萨姆邦用于抗蠕虫感染的药用植物的民族植物学知识，并对现有的药理学证据进行批判性评价，以确定有希望的药物开发候选物。利用谷歌Scholar、PubMed、ResearchGate、NISCAIR和Scopus进行综合综述，关键词包括“阿萨姆邦本土药用植物”、“蠕虫感染”、“Anthelmintic”、“Ethnobotany”、“Ethnomedicine”和“药理活性”。在本研究中，对2006年5月至2025年6月期间的42份手稿进行了审查和分析。提取了植物种类、部落用途、使用部位、制备、给药和药理验证的数据。民族植物学和药理学数据也被分类，以比较传统知识与科学验证。共记录到63科115属149种植物，其中以豆科、芸香科、茄科和兰科最具代表性。叶子是最常用的植物部位，其次是果实、根和种子。传统的制剂主要包括生吃、煎剂和果汁，主要是口服。在记录的物种中，只有一小部分得到了药理学验证，体外评估率为87.29 %，体内评估率为5.93 %，两种方法同时使用的药理学评估率为6.78 %。印楝素、栓塞素、穿心莲内酯、含羞草胺和丁香酚等生物活性成分均表现出显著的驱虫活性。阿萨姆邦的民族药用植物群为开发植物驱虫药提供了宝贵的资源，但尚未得到充分开发。一些主要的目标物种是印楝。决明子、决明子和黄豆的驱虫活性较好。阿萨姆邦的民族药用植物群在开发新的驱虫药方面具有巨大的潜力，未来的研究必须集中在药理学验证、活性化合物的分离、毒性评估上，以便将传统知识转化为开发有效的临床疗法。

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引用次数: 0

Comprehensive study of Torenia crustacea (Linnaeus): Anticancer potential, gene expression modulation, and GC-MS profiling 甲壳Torenia （Linnaeus）的综合研究：抗癌潜力、基因表达调控和GC-MS分析

Pharmacological Research - Natural Products

Pub Date : 2026-01-13 DOI: 10.1016/j.prenap.2026.100512

Anusha Selvaraja , Mary Kensa Vincent , Mukeshbabu Nagarajan , Ananthi Sivagnanam , Balasankar Thangasamy , Manivannan Govindasamy , Ganesh Babu Irulappan

The search for effective natural compounds with anticancer properties is a priority in modern oncology research. In this study, we investigated the potential anticancer activity of aqueous extracts derived from Torenia crustacea (Linnaeus) Chamisso & Schlechtendal against HeLa (cervical cancer) cell lines and MDA-MB-231 (breast cancer) cell lines. Initially, GC-MS analysis of the aqueous extract identified compounds, such as 1-Cyclohexyl-5-(4-methoxy-benzyl)- pyrimidine-2,4,6(1 H,3 H,5 H)-trione, Benzo[h]quinoline, 2,4-dimethyl-Cyclotrisiloxane, 2,5-dimethyl-2-Nonyne, Trimethyl (4-tert.-butyl phenoxy)silane, 1-Methyl-3-phenylindole, gamma, and beta-sitosterol, in the aqueous extract. Through a comprehensive analysis, including MTT, AO/EtBr, and DAPI assays, we demonstrated that the aqueous extracts effectively inhibit the growth of cancer cells. The IC50s (half-maximal inhibitory concentrations) for the MDA-MB-231 and HeLa cell lines were determined to be 54.522 ± 4.711 µg/mL and 50.527 ± 4.230 µg/mL, respectively. Moreover, gene expression studies in HeLa cell lines revealed a significant reduction (60–70 %) in the expression of AKT, mTOR, and PI3K genes at concentrations of 60 and 80 µg/mL. The findings indicate that extracts from Torenia crustacea have the potential to be a valuable source of natural compounds for the development of innovative anticancer treatments.

寻找具有抗癌特性的有效天然化合物是现代肿瘤学研究的重点。在本研究中，我们研究了Torenia甲壳类植物（Linnaeus） Chamisso &； Schlechtendal水提物对HeLa（宫颈癌）细胞株和MDA-MB-231（乳腺癌）细胞株的潜在抗癌活性。最初，通过气相色谱-质谱分析，鉴定出1-环己基-5-（4-甲氧基-苄基）-嘧啶-2,4,6(1 H,3 H,5 H)-三酮、苯并喹啉、2,4-二甲基-环三硅氧烷、2,5-二甲基-2-壬炔、三甲基（4-叔丁基）。-丁基苯氧基硅烷，1-甲基-3-苯基吲哚，γ和-谷甾醇，在水萃取物中。通过MTT、AO/EtBr、DAPI等综合分析，我们证明了水提物能有效抑制癌细胞的生长。测定MDA-MB-231和HeLa细胞株的ic50（半最大抑制浓度）分别为54.522 ± 4.711 µg/mL和50.527 ± 4.230 µg/mL。此外，HeLa细胞系的基因表达研究显示，当浓度为60和80 µg/mL时，AKT、mTOR和PI3K基因的表达显著降低（60 - 70 %）。这一发现表明，甲壳类托伦虫的提取物有潜力成为开发创新抗癌疗法的天然化合物的宝贵来源。

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引用次数: 0

Phytoconstituents of Centella asiatica (L.) as dual BACE1 and AChE inhibitors: An in silico molecular interaction approach for Alzheimer’s disease therapy 积雪草植物成分作为BACE1和AChE双抑制剂：一种用于阿尔茨海默病治疗的硅分子相互作用方法

Pharmacological Research - Natural Products

Pub Date : 2026-01-13 DOI: 10.1016/j.prenap.2026.100506

Renuka Ekka, Bharti Ahirwar, Sumathi Poleboina

Background

Alzheimer’s disease (AD) is characterized by cognitive decline and behavioural impairments, with β-amyloid (Aβ) plaque accumulation and cholinergic dysfunction as key pathological features. Targeting β-secretase (BACE1) and acetylcholinesterase (AChE) represents a promising therapeutic strategy.

Aim

This study aimed to evaluate selected phytoconstituents from Centella asiatica, including madecassoside, madecassic acid, asiaticoside, asiatic acid, luteolin, rutin, naringin, and stigmasterol, as potential dual inhibitors of BACE1 and AChE using computational methods.

Material and methods

Molecular docking was performed against AChE and BACE1, followed by interaction analysis using Discovery Studio and LigPlot+ . Drug-likeness and pharmacokinetic properties were predicted using SwissADME and related in silico tools.

Results

Luteolin, madecassoside, and asiatic acid demonstrated the strongest binding affinities with both targets, supported by stable hydrogen bonding and hydrophobic interactions. Most compounds showed favorable ADMET characteristics, including good oral bioavailability, BBB permeability, and low toxicity.

Conclusion

This is the first comprehensive in silico evaluation of Centella asiatica phytoconstituents as dual BACE1 and AChE inhibitors. The findings suggest that these compounds hold potential as neuroprotective scaffolds for AD therapy, warranting further experimental validation.

阿尔茨海默病（AD）以认知能力下降和行为障碍为特征，β-淀粉样蛋白（Aβ）斑块积聚和胆碱能功能障碍是主要病理特征。靶向β-分泌酶（BACE1）和乙酰胆碱酯酶（AChE）是一种很有前景的治疗策略。目的本研究旨在通过计算方法评价积雪草中提取的植物成分，包括马鞭草苷、马鞭草酸、积雪草苷、积雪草酸、木犀草素、芦丁、柚皮苷和豆甾醇作为BACE1和AChE的潜在双重抑制剂。材料和方法对AChE和BACE1进行分子对接，然后使用Discovery Studio和LigPlot+ 进行相互作用分析。使用SwissADME和相关的硅工具预测药物相似性和药代动力学性质。结果石首草苷、马齿苋苷和亚细亚酸在稳定的氢键和疏水相互作用的支持下，与两个靶点的结合亲和性最强。大多数化合物表现出良好的ADMET特性，包括良好的口服生物利用度、血脑屏障通透性和低毒性。结论本研究首次对积雪草植物成分作为BACE1和AChE双抑制剂进行了计算机综合评价。研究结果表明，这些化合物具有作为AD治疗的神经保护支架的潜力，需要进一步的实验验证。

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引用次数: 0

Deciphering the phytochemical and pharmacological potential of Syzygium grande (Wight) Walp. through in vivo, in vitro, and computational approaches 解读大白穗的植物化学和药理潜力。通过体内，体外和计算方法

Pharmacological Research - Natural Products

Pub Date : 2026-01-13 DOI: 10.1016/j.prenap.2026.100509

Md. Jahirul Islam Mamun , Sifatul Islam Mizan , Mahathir Mohammad , Md. Hossain Rasel , Mohi Uddin

Syzygium grande (Wight) Walp., a member of the Myrtaceae family, has been traditionally used to address various health conditions. This research aimed to assess the phytochemical composition and the potential antioxidant, anti-inflammatory, antidiabetic, and thrombolytic properties of the methanolic leaf extract of S. grande (MESG). MESG exhibited mild antioxidant activity in the DPPH assay, with an IC₅₀ value of 238 µg/mL, compared to the standard ascorbic acid (IC₅₀ = 95.85 µg/mL). However, it was less potent than the reference ascorbic acid, which had an IC₅₀ value of 95.85 µg/mL. MESG at 200 mg/kg significantly (p < 0.001) reduced ear edema in mice compared to the control in the xylene-induced ear edema test (78.89 % inhibition). The extract also exhibited notable anti-inflammatory effects, with 73.12 ± 0.98 % protection at 1000 µg/mL in the HRBC test and an IC₅₀ value of 246.67 µg/mL in the protein denaturation assay. MESG showed a strong antidiabetic effect in the alpha-amylase inhibitory test, with an IC₅₀ value of 51.22 µg/mL, compared to the reference acarbose (IC₅₀ = 36.95 µg/mL). Furthermore, the extract displayed considerable thrombolytic activity, achieving 65.2 ± 4.66 % clot lysis in the human blood clot lysis test. Molecular docking studies provided further support for our findings, confirming the predicted interactions and binding affinities of the identified compounds with their respective target proteins. These results indicate that MESG may have potential applications in addressing oxidative stress, inflammation, diabetes, and thrombosis-related conditions. However, further research is necessary to confirm these outcomes and explore their therapeutic potential.

大（重）臀。是桃金娘科的一员，传统上被用来治疗各种健康问题。摘要本研究旨在研究大叶青醇提物（MESG）的植物化学成分及其潜在的抗氧化、抗炎、抗糖尿病和溶栓活性。与标准抗坏血酸（IC50 = 95.85 µg/mL）相比，MESG在DPPH实验中表现出温和的抗氧化活性，IC50值为238 µg/mL。但IC50值为95.85 µg/mL，低于对照抗坏血酸。在二甲苯诱导的耳部水肿试验中，与对照组相比，200 mg/kg的MESG显著（p <； 0.001）减少了小鼠的耳部水肿（抑制率为78.89 %）。该提取物还具有显著的抗炎作用，在1000 µg/mL的HRBC试验中，其保护作用为73.12 ± 0.98 %，在蛋白质变性试验中，其IC50值为246.67 µg/mL。MESG在α -淀粉酶抑制试验中显示出较强的降糖作用，IC50值为51.22 µg/mL，而对照品阿卡波糖的IC50值为36.95 µg/mL。此外，提取物显示出相当大的溶栓活性，在人血凝块溶解试验中达到65.2 ± 4.66 %的凝块溶解。分子对接研究为我们的发现提供了进一步的支持，证实了所鉴定的化合物与各自靶蛋白的预测相互作用和结合亲和力。这些结果表明，MESG可能在解决氧化应激、炎症、糖尿病和血栓相关疾病方面有潜在的应用。然而，需要进一步的研究来证实这些结果并探索其治疗潜力。

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引用次数: 0

Therapeutic potentials of dietary phospholipids against neurological and metabolic disorders: A review 膳食磷脂对神经和代谢疾病的治疗潜力：综述

Pharmacological Research - Natural Products

Pub Date : 2026-01-12 DOI: 10.1016/j.prenap.2026.100510

Innocent Uzochukwu Okagu, Rita Ngozi Aguchem, Chidera Peace Ogbu, Andy Ugunna Omeje

Phospholipids (PLs) are crucial membrane components and interact with membrane proteins and cellular receptors to mediate signal transduction and influence metabolic processes. Dietary phospholipids from natural origin, such as those from soybean, egg yolk, krill, squid, and others, are increasingly gaining scientific attention due to growing evidence of their health-enhancing potential. Notably, PLs having long-chain omega-3 polyunsaturated fatty acids (PUFA), especially docosahexaenoic acid (DHA)-containing PLs, have been shown to alleviate experimentally induced conditions such as neurological and metabolic disorders, including liver, kidney, and intestinal damage, heat/UV-radiation-induced stress, and aging. In elderly humans with depression and animal models of neurodegenerative disorders, PLs are reported to alleviate depression and anxiety and improve cognitive abilities. This review discusses the preparation and mechanisms of health promotion by PLs as reported in the scientific literature, mainly within the last two decades. Inhibition of inflammation, oxidative stress, apoptosis, and fat accumulation in tissues and prevention of gut mucosa dysbiosis were among the significant modes of action of PLs. Despite the interesting results reported from in vitro and in vivo studies, there is a lack of consensus on the quantity of PLs to be added to the diet or ingested for optimal health. More clinical studies are needed to clarify the benefits of dietary PLs in humans since most of the recent studies were conducted in rodents.

磷脂（PLs）是重要的膜成分，与膜蛋白和细胞受体相互作用，介导信号转导并影响代谢过程。来自天然来源的膳食磷脂，如来自大豆、蛋黄、磷虾、鱿鱼等的膳食磷脂，由于越来越多的证据表明它们具有促进健康的潜力，正日益受到科学的关注。值得注意的是，含有长链omega-3多不饱和脂肪酸（PUFA）的PLs，特别是含有二十二碳六烯酸（DHA）的PLs，已被证明可以缓解实验诱导的疾病，如神经和代谢紊乱，包括肝、肾和肠道损伤，热/紫外线辐射诱导的应激和衰老。在老年抑郁症患者和神经退行性疾病的动物模型中，据报道，PLs可以缓解抑郁和焦虑，提高认知能力。这篇综述讨论了在科学文献中报道的PLs的制备和促进健康的机制，主要是在最近二十年。PLs的重要作用模式包括抑制炎症、氧化应激、细胞凋亡和组织脂肪积累，以及预防肠道黏膜失调。尽管体外和体内研究报告了有趣的结果，但对于在饮食中添加或摄入多少PLs才能达到最佳健康状态，目前还缺乏共识。由于最近的大多数研究都是在啮齿动物中进行的，因此需要更多的临床研究来阐明膳食中PLs对人类的益处。

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引用次数: 0

Computational investigation of Trigonelline (1-methylpyridinium-3-carboxylate) through DFT, docking and pharmacokinetic studies for Breast cancer treatment 葫芦巴碱（1-甲基吡啶-3-羧酸盐）治疗乳腺癌的DFT、对接和药代动力学研究计算研究

Pharmacological Research - Natural Products

Pub Date : 2026-01-12 DOI: 10.1016/j.prenap.2026.100507

Swetha Murugesan , Azar Zochedh , Kaliraj Chandran , Mohana Priya , Sureba Sukumaran , Thimma Mohan Viswanathan , Anbarasu Krishnan , Asath Bahadur Sultan , Thandavarayan Kathiresan

Breast cancer remains a major global health challenge requiring novel, safe, and effective therapeutic agents. Trigonelline (1-Methylpyridinium-3-carboxylate), a naturally occurring bioactive compound, has gained growing attention for its potential anticancer properties. In this study, we systematically investigated the molecular characteristics and pharmacological profile of trigonelline using a suite of integrated computational methods, including density functional theory (DFT), molecular docking, and pharmacokinetic (ADMET) assessments. Trigonelline’s geometry was optimized at the B3LYP/6–311 + +G (d, p) level, and quantum descriptors such as HOMO-LUMO gap, molecular electrostatic potential, and Mulliken charge distribution were evaluated to elucidate its stability and reactive behavior. Docking analyses against breast cancer-relevant targets (AKT1, BCL2, BRCA1, Caspase6, GSK3β, PARP1) demonstrated favorable binding, with the strongest affinity observed for BCL2 (-6.3 kcal/mol), highlighting its potential modulatory activity. Pharmacokinetic evaluation through ADMET profiling and BOILED-Egg modeling indicated good gastrointestinal absorption and oral bioavailability, alongside minimal toxicity concerns with no predicted hERG inhibition. Overall, these integrative computational findings underscore trigonelline’s potential as a multitarget anticancer candidate and support its advancement to experimental validation in breast cancer research.

乳腺癌仍然是一个主要的全球健康挑战，需要新颖、安全、有效的治疗药物。Trigonelline （1-Methylpyridinium-3-carboxylate）是一种天然存在的生物活性化合物，因其潜在的抗癌特性而受到越来越多的关注。在这项研究中，我们系统地研究了葫芦巴碱的分子特征和药理学特征，使用了一套集成的计算方法，包括密度泛函数理论（DFT）、分子对接和药代动力学（ADMET）评估。在B3LYP/ 6-311 + +G （d, p）水平上优化了Trigonelline的几何结构，并评估了HOMO-LUMO间隙、分子静电势和Mulliken电荷分布等量子描述子来阐明其稳定性和反应行为。与乳腺癌相关靶点（AKT1, BCL2, BRCA1, Caspase6, GSK3β, PARP1）的对接分析显示出良好的结合，与BCL2的亲和力最强（-6.3 kcal/mol），突出了其潜在的调节活性。通过ADMET分析和煮蛋模型进行的药代动力学评估表明，良好的胃肠道吸收和口服生物利用度，以及最小的毒性问题，没有预测的hERG抑制。总的来说，这些综合计算结果强调了葫芦巴碱作为多靶点抗癌候选药物的潜力，并支持其在乳腺癌研究中的实验验证。

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引用次数: 0

Anti-diabetic effect of leaf extracts of Pongamia pinnata pierre: An in silico, in vitro and in vivo study 桄榔子叶提取物的抗糖尿病作用：体外、体内、体外研究

Pharmacological Research - Natural Products

Pub Date : 2026-01-12 DOI: 10.1016/j.prenap.2026.100504

Jayshri Swarnkar , Saloni Rahi , Khushboo Pathania , Devendra Mishra , Mukesh Lal Sah , Sandip V. Pawar , Sangeeta Pilkhwal Sah

Aim

Pongamia pinnata (L.) Pierre (Fabacae) (P. pinnata), popularly known as “Karanja” (in Hindi) is traditionally used for many ailments due to the presence of diverse group of chemical constituents. The study aims to determine the chemical constituents of the leaves of P. pinnata, and to scientifically validate the plant for its anti-diabetic effect using in silico, in vitro, and in vivo studies.

Materials and Methods

n-hexane, ethyl acetate and ethanolic leaf extracts of P.pinnata were screened using spectroscopic and chromatographic analysis, followed by in silico molecular docking studies. The extracts were further evaluated for their in vitro antioxidant and antidiabetic activities, which were subsequently validated in a streptozotocin-induced diabetic rodent model

Results

The Gas chromatography-Mass Spectroscopy investigation revealed the presence of total 3, 7 and 48 peaks, respectively in chromatograms of n-hexane, ethyl acetate and ethanolic extracts respectively. The compound 2,7-diphenyl-1,6-dioxopyridazino [4,5:2’,3’] pyrrolo[ 4’,5’-d] pyridazine present in ethanolic extract, exhibited lowest binding energies for α-amylase and α-glucosidase enzyme targets suggesting antidiabetic potential comparable to acarbose. All the extracts demonstrated in vitro antidiabetic effect, with ethanolic extract having the most significant one. However, a weak antioxidant effect was seen with all the extracts. In streptozotocin induced diabetic rats, ethanolic and ethyl acetate extracts produced more significant antihyperglycemic effect than the standard drug metformin. The results correlated well with the findings of histopathological studies.

Conclusion

In a nutshell the antidiabetic effect of P. pinnata leaf extracts may be primarily attributed to mechanisms beyond antioxidant activity, such as the inhibition of enzymes involved in carbohydrate metabolism, warranting further extensive studies.

凤尾花（L.）皮埃尔（Fabacae）（P. pinnata），俗称“Karanja”（印地语），传统上用于治疗许多疾病，因为它含有多种化学成分。本研究旨在通过硅片、体外和体内研究，确定桄榔子叶的化学成分，科学验证其抗糖尿病作用。材料与方法采用光谱学和色谱学方法对桄榔子叶的正己烷、乙酸乙酯和乙醇提取物进行筛选，并进行硅分子对接研究。结果发现，正己烷、乙酸乙酯和乙醇提取物的色谱中分别存在3个、7个和48个峰。乙醇提取物中的化合物2,7-二苯基-1,6-二氧吡啶基[4,5:2 ',3 ']吡啶基[4 ',5 ' -d]吡啶基对α-淀粉酶和α-葡萄糖苷酶的结合能最低，表明其抗糖尿病潜力与阿卡波糖相当。所有提取物均有抗糖尿病作用，其中乙醇提取物的抗糖尿病作用最显著。然而，所有提取物的抗氧化作用都很弱。在链脲佐菌素诱导的糖尿病大鼠中，乙醇和乙酸乙酯提取物的降糖作用比标准药物二甲双胍更显著。该结果与组织病理学研究结果吻合良好。结论桄榔子叶提取物的抗糖尿病作用可能主要与抗氧化作用以外的机制有关，如抑制碳水化合物代谢酶，值得进一步深入研究。

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引用次数: 0