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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

Mechanistic elucidation of phloretin in the management of cataract based on network pharmacology, molecular docking, and in-vivo experimental studies 基于网络药理学、分子对接和体内实验研究阐明根皮素在白内障治疗中的作用机制

Pharmacological Research - Natural Products

Pub Date : 2026-01-12 DOI: 10.1016/j.prenap.2026.100511

Anshul Ram , Umashankar Nirmalkar , Jaya Shree , Swarnali Das Paul , Shekhar Verma , Rajesh Choudhary

Backgrounds

Cataract is the leading cause of ocular blindness, which is mainly associated with oxidative stress. The study evaluated and elucidated the molecular mechanism of phloretin, a potent antioxidant flavonoid, against cataract using network pharmacology, molecular docking, and in vivo experimental studies.

Methods

The Molecular mechanism of phloretin against cataract was elucidated using computational tools and a database. Further, therapeutic and pathophysiological insights of phloretin were evaluated against the naphthalene-induced cataract model in Sprague Dawley albino rats (either sex, 12–15 weeks, 150–180 g). The anticataract activity of Phloretin at a dose of 50 and 100 mg/kg/day, p.o., was assessed against the naphthalene (1 g/kg/day, p.o., for four weeks) induced model. The progression of lens opacity was assessed weekly, and pathophysiological markers were assessed after completion of experiments.

Results

In-silico studies revealed that NFKB1 is the most favorable key target for phloretin to manage cataract by modulating PI3K-Akt, MAPK, Ras, and cellular senescence signaling pathways. The in-vivo study showed that phloretin treatments at doses of 50 and 100 mg/kg considerably retained the lens transparency and mitigated the progression of cataract formation. Phloretin treatments significantly (P < 0.05) restored the worsened pathophysiological markers indicated by increasing antioxidants (CAT, SOD, and GSH), protein contents, and Ca^2 +ATPase activity and decreasing lipid peroxidant (MDA), nitrite contents, and Ca²⁺ ion.

Conclusion

On the basis of the findings, phloretin shows potential beneficial effects in the management of cataract. These effects might be associated with the mitigation of oxidative stress and modulation of NFKB1 and PTPN11 action, which needs to be validated in future studies.

白内障是导致眼盲的主要原因，主要与氧化应激有关。本研究通过网络药理学、分子对接和体内实验研究等方法，评价并阐明了有效抗氧化剂黄酮类化合物根皮素抗白内障的分子机制。方法利用计算工具和数据库分析根皮素抗白内障的分子机制。此外，我们还对Sprague Dawley白化大鼠（雌雄均可，12-15周，150-180 g）萘致白内障模型进行了皮鞘素的治疗和病理生理观察。以萘（1 g/kg/day, p.o.，连续4周）诱导的模型为对照，评估了50和100 mg/kg/day剂量的根皮素的抗白内障活性。每周评估晶状体混浊的进展情况，实验结束后评估病理生理指标。结果研究表明，NFKB1是根皮素通过调节PI3K-Akt、MAPK、Ras和细胞衰老信号通路来治疗白内障的最有利的关键靶点。体内研究表明，50和100 mg/kg剂量的根皮素治疗可显著保持晶状体透明度并减缓白内障形成的进展。根皮素处理显著（P <； 0.05）恢复了恶化的病理生理指标，提高了抗氧化剂（CAT、SOD和GSH）、蛋白质含量和Ca2 + atp酶活性，降低了脂质过氧化物（MDA）、亚硝酸盐含量和Ca2+离子。结论在此基础上，根皮素在白内障治疗中具有潜在的有益作用。这些作用可能与减轻氧化应激和调节NFKB1和PTPN11的作用有关，这需要在未来的研究中得到验证。

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引用次数: 0

Exploring the potential of Atropa belladonna as a source of novel therapeutic agents for neurological disorders: A comprehensive review 探索颠茄作为神经系统疾病新型治疗剂的潜力：综合综述

Pharmacological Research - Natural Products

Pub Date : 2026-01-12 DOI: 10.1016/j.prenap.2026.100499

Manka Marycleopha , Bachir Yaou Balarabe , Satish Kumar

Objectives

This review examines the therapeutic potential of Atropa belladonna for neurological disorders by analyzing its chemical composition, extraction methods, clinical applications, and mechanisms of action. It highlights essential alkaloids, such as atropine and scopolamine, and their neuropharmacological effects, especially in Parkinson’s disease. Furthermore, it identifies research gaps related to toxicity, standardization, and clinical validation.

Methods

A systematic literature review was conducted utilizing electronic databases such as PubMed, Scopus, Web of Science, and Google Scholar. This search aimed to explore studies regarding the chemical constituents, therapeutic applications, extraction techniques, and mechanisms of action of Atropa belladonna alkaloids in neurological disorders. Articles that did not provide details on bioactive compound extraction methods or used synthesized compounds were excluded to ensure a focus on naturally derived compounds.

Results

Findings suggest that Atropa belladonna possesses neuroprotective and anticholinergic properties, potentially benefiting conditions like Parkinson’s disease and epilepsy. However, toxicity concerns, a lack of extraction standardization, and limited clinical evidence present significant challenges. Case studies report both therapeutic and toxic effects, highlighting the need for caution.

Conclusion

Despite its promising neuropharmacological potential, Atropa belladonna remains under-researched in clinical settings. Further studies are needed to optimize extraction methods, minimize toxicity risks, and standardize dosages for safe therapeutic use. Tackling these challenges could position Atropa belladonna as a viable source for novel neurological applications and treatments.

目的从颠茄的化学成分、提取方法、临床应用及作用机制等方面综述颠茄对神经系统疾病的治疗潜力。它强调了必需的生物碱，如阿托品和东莨菪碱，以及它们的神经药理作用，特别是在帕金森病中。此外，它还确定了与毒性、标准化和临床验证相关的研究差距。方法利用PubMed、Scopus、Web of Science、b谷歌Scholar等电子数据库进行系统的文献综述。本研究旨在探讨颠茄生物碱在神经系统疾病中的化学成分、治疗应用、提取技术和作用机制。没有提供生物活性化合物提取方法或使用的合成化合物的详细信息的文章被排除在外，以确保关注天然衍生化合物。研究结果表明颠茄具有神经保护和抗胆碱能特性，可能对帕金森病和癫痫等疾病有益。然而，毒性问题、缺乏提取标准化和有限的临床证据提出了重大挑战。案例研究报告了治疗和毒性作用，强调了谨慎的必要性。结论尽管颠茄具有良好的神经药理潜力，但其临床研究仍不足。需要进一步的研究来优化提取方法，最大限度地降低毒性风险，并规范剂量以安全治疗。解决这些挑战可以使颠茄成为新的神经应用和治疗的可行来源。

{"title":"Exploring the potential of Atropa belladonna as a source of novel therapeutic agents for neurological disorders: A comprehensive review","authors":"Manka Marycleopha , Bachir Yaou Balarabe , Satish Kumar","doi":"10.1016/j.prenap.2026.100499","DOIUrl":"10.1016/j.prenap.2026.100499","url":null,"abstract":"<div><h3>Objectives</h3><div>This review examines the therapeutic potential of <em>Atropa belladonna</em> for neurological disorders by analyzing its chemical composition, extraction methods, clinical applications, and mechanisms of action. It highlights essential alkaloids, such as atropine and scopolamine, and their neuropharmacological effects, especially in Parkinson’s disease. Furthermore, it identifies research gaps related to toxicity, standardization, and clinical validation.</div></div><div><h3>Methods</h3><div>A systematic literature review was conducted utilizing electronic databases such as PubMed, Scopus, Web of Science, and Google Scholar. This search aimed to explore studies regarding the chemical constituents, therapeutic applications, extraction techniques, and mechanisms of action of <em>Atropa belladonna</em> alkaloids in neurological disorders. Articles that did not provide details on bioactive compound extraction methods or used synthesized compounds were excluded to ensure a focus on naturally derived compounds.</div></div><div><h3>Results</h3><div>Findings suggest that <em>Atropa belladonna</em> possesses neuroprotective and anticholinergic properties, potentially benefiting conditions like Parkinson’s disease and epilepsy. However, toxicity concerns, a lack of extraction standardization, and limited clinical evidence present significant challenges. Case studies report both therapeutic and toxic effects, highlighting the need for caution.</div></div><div><h3>Conclusion</h3><div>Despite its promising neuropharmacological potential, <em>Atropa belladonna</em> remains under-researched in clinical settings. Further studies are needed to optimize extraction methods, minimize toxicity risks, and standardize dosages for safe therapeutic use. Tackling these challenges could position <em>Atropa belladonna</em> as a viable source for novel neurological applications and treatments.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"10 ","pages":"Article 100499"},"PeriodicalIF":0.0,"publicationDate":"2026-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145977355","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

In-silico molecular docking of berberine HCl and gallic acid: A multi-targeted approach for diabetic nephropathy 小檗碱HCl和没食子酸的硅分子对接：糖尿病肾病的多靶点治疗方法

Pharmacological Research - Natural Products

Pub Date : 2026-01-11 DOI: 10.1016/j.prenap.2026.100502

P. Roshan Ali , Gottimukkala Rakshitha , V.V. Rajesham , Kavirayani Naga Lakshmi Shivani , Rajinikanth Sagapola , S. Sravanthi

Diabetic nephropathy (DN), a major contributor to end-stage renal disease, demands therapeutic approaches that can address its complex and multi-pathway progression. This study evaluates the synergistic renoprotective potential of Gallic Acid and berberine hydrochloride using a multi-target in-silico strategy aimed at providing a more comprehensive intervention against DN. Molecular docking revealed strong interactions of both compounds with several DN-related proteins, including human pancreatic alpha-amylase (1B2Y), GSK-3β (1UV5), RXR-α/PPAR-γ (1FM6), DPP-IV (3BJM), ERK2 (4IZ5), PPAR-γ (5U5L), maltase-glucoamylase (2QMJ), GFPT1 (2V4M), insulin receptor kinase (1GAG), 11β-HSD1 (3CH6), and AKT1 (3O96). Berberine HCl showed strong affinity for TGF-β (-11.4 kcal/mol) and PPAR-γ (-8.5 kcal/mol), suggesting effects on fibrotic modulation and improved insulin response. Gallic Acid demonstrated considerable binding to NF-κB (-9.0 kcal/mol) and aldose reductase (-6.6 kcal/mol), indicating its potential to reduce inflammatory activity and oxidative stress. Together, these findings highlight the ability of the two compounds to influence multiple pathological mechanisms, including inflammation, oxidative injury, fibrotic processes, and glucose dysregulation. Pharmacokinetic evaluation indicated favourable drug-likeness, minimal predicted hepatotoxicity, and compatibility for combined oral delivery. Comparative analysis further suggested that this dual-compound approach may offer greater predicted therapeutic benefit than standard DN therapies such as ACE inhibitors. These results support the development of this combination as a promising multi-mechanistic strategy for DN and provide a foundation for future in-vitro and in-vivo validation.

糖尿病肾病（DN）是终末期肾脏疾病的主要原因，需要能够解决其复杂和多途径进展的治疗方法。本研究评估了没食子酸和盐酸小檗碱的协同保护潜力，采用多靶点芯片策略，旨在为DN提供更全面的干预。分子对接发现，这两种化合物与几种dn相关蛋白有强相互作用，包括人胰腺α -淀粉酶（1B2Y）、GSK-3β (1UV5)、RXR-α/PPAR-γ (1FM6)、DPP-IV （3BJM）、ERK2 （4IZ5）、PPAR-γ (5U5L)、麦尔葡糖淀粉酶（2QMJ）、GFPT1 （2V4M）、胰岛素受体激酶（1GAG）、11β-HSD1 （3CH6）和AKT1 （3O96）。小檗碱HCl对TGF-β（-11.4 kcal/mol）和PPAR-γ（-8.5 kcal/mol）具有较强的亲和力，提示其对纤维化调节和胰岛素反应有改善作用。没食子酸显示出与NF-κB（-9.0 kcal/mol）和醛糖还原酶（-6.6 kcal/mol）的显著结合，表明其具有降低炎症活性和氧化应激的潜力。总之，这些发现强调了这两种化合物影响多种病理机制的能力，包括炎症、氧化损伤、纤维化过程和葡萄糖失调。药代动力学评价显示良好的药物相似性，最小的预测肝毒性，以及联合口服给药的相容性。对比分析进一步表明，这种双复合方法可能比标准DN治疗（如ACE抑制剂）提供更大的预测治疗效果。这些结果支持了这种联合治疗DN的多机制策略的发展，并为未来的体外和体内验证奠定了基础。

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引用次数: 0