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

Phytochemical and pharmacological potential of mangroves: A comprehensive review on traditional uses and medicinal prospects 红树林的植物化学和药理潜力：传统用途和药用前景的综合综述

Pharmacological Research - Natural Products

Pub Date : 2026-03-01 Epub Date: 2025-12-29 DOI: 10.1016/j.prenap.2025.100485

Shital S. Chavan , Prashant B. Shamkuwar , Manoj G. Damale

Background

Mangroves are ecologically significant plants that serve as valuable reservoirs of secondary metabolites with diverse pharmacological applications. Despite their extensive traditional use, limited scientific validation exists for many mangrove species and their bioactive compounds.

Objective

The goal of this review is to give a thorough overview of the taxonomy, ethno pharmacology, phytochemical profiles, and pharmacological activity of traditionally used mangroves. It does this by showing how useful they could be as medicine and how much more research has to be done.

Methods

A systematic literature review was conducted using databases such as Pub hem, Elsevier, Science Direct, Bentham Science, and other search engines. Relevant studies on the phytochemical constituents, pharmacological activities, and medicinal applications of mangrove species were analysed and synthesized.

Results

Mangrove makes a number of substances that are useful for medicine, including as flavonoids, saponins, tannins, alkaloids, phenolic compounds, terpenoids, and steroids. The predominant pharmacological activities reported include antioxidant, antimicrobial, antidiabetic, and antiulcer properties. While several species have demonstrated promising bioactivity, their potential for drug development remains underexplored. Notably, mangrove-derived compounds with antibacterial properties lack extensive formulation-based research, limiting their pharmaceutical applications.

Conclusion

There is a great need for thorough research supported by precise clinical and scientific data to guarantee the safety and effective use of these plants, to explore their full medicinal potential and facilitate drug discovery and validate their pharmacological characteristics and toxicity especially since mangroves have high potential for medicinal products and drug discovery to prevent and treat many diseases.

红树林是具有重要生态意义的植物，是具有多种药理应用的次生代谢物的宝贵储存库。尽管它们的传统用途广泛，但对许多红树林物种及其生物活性化合物的科学验证有限。目的对传统红树的分类、民族药理学、植物化学特征和药理活性进行综述。它通过展示它们作为药物是多么有用，以及需要做多少研究来做到这一点。方法利用Pub hem、Elsevier、Science Direct、Bentham Science等数据库及搜索引擎进行系统文献综述。对红树林植物化学成分、药理活性和药用价值的相关研究进行了分析和综合。结果红树可制取多种药用物质，包括黄酮类化合物、皂苷、单宁、生物碱、酚类化合物、萜类化合物和类固醇。主要的药理活性报道包括抗氧化，抗菌，抗糖尿病和抗溃疡的性质。虽然一些物种已经显示出有希望的生物活性，但它们的药物开发潜力仍未得到充分开发。值得注意的是，具有抗菌特性的红树林衍生化合物缺乏广泛的基于配方的研究，限制了它们的制药应用。结论红树林在预防和治疗多种疾病方面具有巨大的药用潜力和药物开发潜力，因此需要在精确的临床和科学数据支持下进行深入的研究，以保证其安全有效的利用，充分挖掘其药用潜力，促进药物开发，验证其药理特性和毒性。

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引用次数: 0

Biological and pharmacological activities, phytochemical profile, and ecological sustainability aspects of Cichorium intybus: An account of knowledge gaps and existing approaches 菊苣的生物和药理活性、植物化学特征和生态可持续性方面：知识差距和现有方法的说明

Pharmacological Research - Natural Products

Pub Date : 2026-03-01 Epub Date: 2025-12-09 DOI: 10.1016/j.prenap.2025.100450

Aisha Azad , Shoaib Hussain , Hina Akram , Hina Fida , Talib E. Butt

Chicory, known as Kashni, refers to Cichorium intybus L., a plant from the Asteraceae family, native to the Mediterranean region, with a long-standing history as a medicinal herb. It contains several key components that play a vital role in treating various health conditions. Many cultures have traditionally utilized this herb. Chicory also exhibits a wide range of pharmacological properties. The review studies in the literature to date do not appear to have captured the existing knowledge regarding this plant in terms of following in one place: phytochemical profile, biological and medicinal activities; such that the knowledge gaps along with the current approaches used to overcome the corresponding limitations associated with the knowledge gaps, need to be accounted for. A comprehensive literature review was conducted using reputable databases, including ScienceDirect, Google Scholar, Scopus, and PubMed. This review research included over one hundred articles, research theses, and books that focused on the ethnobotany, extraction and isolation of chemical constituents, bioactivities of C. intybus, and its role in nanoparticle synthesis. The study covered scientific publications from 1995 to 2024. The paper provides a comprehensive overview of the bioactive composition of C. intybus, highlighting its pharmacological activities linked to plant secondary metabolites based on recent findings. It also explores the plant's occurrence, morphology, geographic distribution, and its role in the green synthesis of nanoparticles. Additionally, the review identifies and narrates gaps in toxicological research, strategies to address these gaps, limitations, and future directions. In conclusion, C. intybus is a remarkable plant that warrants further study through innovative approaches.

菊苣，被称为Kashni，指菊苣属植物，一种菊科植物，原产于地中海地区，作为草药有着悠久的历史。它包含几个关键组成部分，在治疗各种健康状况方面发挥至关重要的作用。许多文化传统上都使用这种草药。菊苣还具有广泛的药理特性。迄今为止，文献中的综述研究似乎没有在以下一个方面涵盖有关该植物的现有知识：植物化学概况，生物和药用活性；因此，需要考虑到知识差距以及用于克服与知识差距相关的相应限制的当前方法。全面的文献综述使用了有信誉的数据库，包括ScienceDirect、谷歌Scholar、Scopus和PubMed。本综述收录了百余篇文献、研究论文和专著，重点介绍了紫苣苔的民族植物学、化学成分的提取与分离、生物活性及其在纳米颗粒合成中的作用。该研究涵盖了1995年至2024年的科学出版物。本文综述了青霉的生物活性成分，重点介绍了其与植物次生代谢物相关的药理活性。它还探讨了植物的发生、形态、地理分布及其在纳米颗粒绿色合成中的作用。此外，该综述确定并叙述了毒理学研究中的差距，解决这些差距的策略，限制和未来方向。综上所述，春菊是一种值得进一步研究的植物。

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引用次数: 0

Antibacterial efficacy and bioactive pigments’ profiling of Arnebia euchroma (Ratanjot): A critically endangered medicinal plant from the Trans-Himalayan region 跨喜马拉雅地区极度濒危药用植物紫檀（Arnebia euchroma, Ratanjot）的抗菌功效及生物活性色素分析

Pharmacological Research - Natural Products

Pub Date : 2026-03-01 Epub Date: 2025-12-09 DOI: 10.1016/j.prenap.2025.100457

Sunita Devi, Aditi Rana, Kumari Manorma, Pooja Sharma, Subhash Chand, Megha Sharma

This study evaluated the antibacterial efficacy of Arnebia euchroma (Ratanjot): a critically endangered medicinal plant from the Trans-Himalayan region, root extracts prepared using methanol, ethanol, and distilled water against human pathogens, including Enterobacter aerogenes, Proteus sp., Klebsiella pneumoniae, Shigella sp., Escherichia coli ATCC 10418, and Salmonella typhi NCTC 786. The antibacterial activity was assessed using the agar well diffusion and minimum inhibitory concentration assays. Results revealed that the distilled water extract exhibited the most potent antibacterial activity, showing significant inhibition zones and low MIC values against all tested pathogens, with notable effectiveness against Shigella sp. (32 mm ZOI, 78 µg/mL MIC). The study also identified key bioactive pigments, viz., β, β-dimethylacrylshikonin, Deoxy-shikonin, and shikonin through Ultra Performance Liquid Chromatography, which contribute to the antibacterial properties. To conclude, A. euchroma exhibited significant in vitro antibacterial potency, validating its traditional use and emphasizing the need for further pharmacological and biotechnological evaluation.

本研究评估了来自跨喜马拉雅地区的极度濒危药用植物紫草（Ratanjot）的抑菌效果，用甲醇、乙醇和蒸馏水制备的紫草根提取物对人类病原体的抑菌效果，包括产气肠杆菌、变形杆菌、肺炎克雷伯菌、志贺氏菌、大肠杆菌ATCC 10418和伤寒沙门氏菌NCTC 786。采用琼脂孔扩散法和最低抑菌浓度法测定其抑菌活性。结果表明，蒸馏水提取物的抑菌活性最强，对所有病原菌均有明显的抑菌带和较低的MIC值，对志贺氏菌（32 mm ZOI, 78 µg/mL MIC）的抑菌效果显著。同时，通过超高效液相色谱法鉴定出了影响紫草抗菌性能的主要生物活性色素：β、β-二甲基丙烯型紫草素、脱氧紫草素和紫草素。综上所述，赤藻显示出显著的体外抗菌效力，证实了其传统用途，并强调需要进一步的药理学和生物技术评价。

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引用次数: 0

Isolation and therapeutic evaluation of schweinfurthin B and F from Nigerian green propolis 尼日利亚绿蜂胶中施威因菌素B和F的分离及疗效评价

Pharmacological Research - Natural Products

Pub Date : 2026-03-01 Epub Date: 2025-12-09 DOI: 10.1016/j.prenap.2025.100453

Sylvester N. Ugariogu , Ijeoma A. Duru , Ahmed M. Zheoat , Naser F. Al-Tannak , Samya Sh. Alenezi , Eman Y. Santali , Alexander I. Gray , John O. Igoli

Propolis produced by bees has been reported to possess numerous pharmacological properties and applications due to its complex phytochemical composition. Its constituents are reported to vary depending on location, season, region, and mode of extraction. The hexane and ethyl acetate extracts of a green propolis sample from Umudike in Umuahia, Nigeria, were subjected to column chromatography following profiling and dereplication studies, which revealed some phytochemicals such as β-Amyrin, calycosin, schweinfurthins, propolins, and quercetin. The isolates were analysed by NMR and mass spectrometry. The medicinal properties of these compounds were studied in silico. Based on the spectroscopic data, the isolates were identified as Schweinfurthins B and F. The Prediction of Activity Spectra for Substances analysis and the in silico molecular docking results suggest that these compounds could possess anticancer properties due to their binding affinity with Cyclin-dependent kinase (CDK) and human progesterone receptor (PR) proteins, which compare favourably with standard anticancer drugs.

蜂胶由蜜蜂生产，由于其复杂的植物化学成分，已被报道具有许多药理特性和应用。据报道，其成分因地点、季节、地区和提取方式而异。对来自尼日利亚乌穆阿伊亚乌穆代克的绿色蜂胶样品的己烷和乙酸乙酯提取物进行了柱层析分析和重复研究，发现了一些植物化学物质，如β-Amyrin、毛蕊异黄酮、schweinfurthins、蜂胶蛋白和槲皮素。分离物经核磁共振和质谱分析。用硅片研究了这些化合物的药性。物质分析的活性谱预测和硅分子对接结果表明，这些化合物与细胞周期蛋白依赖性激酶（CDK）和人孕酮受体（PR）蛋白的结合亲和力可能具有抗癌特性，与标准抗癌药物相比具有优势。

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引用次数: 0

Advancing psoriasis management through the application of secondary metabolites: A detailed review of phytoconstituents and their multifaceted mechanisms 通过应用次生代谢物推进牛皮癣管理：植物成分及其多方面机制的详细综述

Pharmacological Research - Natural Products

Pub Date : 2026-03-01 Epub Date: 2025-12-09 DOI: 10.1016/j.prenap.2025.100451

Farooque Nasir Shaikh , Sohail Shakeel Sheikh , Amol Tatode , Ujban Md Hussain , Tanvi Premchandani , Rahmuddin Khan , Preeti Sharma , Mohammad Qutub

Psoriasis is a chronic autoimmune skin disorder marked by keratinocyte hyperproliferation and T cell–mediated inflammation. Affecting 1–2 % of the global population, it is associated with comorbidities such as cardiovascular disease, metabolic syndrome, and depression. Conventional treatments including topical agents, phototherapy, and biologics offer symptomatic relief but are limited by adverse effects, high costs, and treatment resistance. To address these clinical challenges, plant-derived secondary metabolites (phytoconstituents) have emerged as safer, mechanism-based alternatives. Among these, curcumin, berberine, and Aloe vera demonstrate the greatest prospect for clinical translation, exhibiting potent anti-inflammatory and immunomodulatory effects through the inhibition of NF-κB, MAPK, and STAT3 pathways. These compounds not only regulate cytokine production and keratinocyte proliferation but also offer a solution to the toxicity and financial burden of long-term conventional therapy. This review consolidates current evidence on phytoconstituents in psoriasis management, emphasizing their role as effective, low-toxicity adjuncts or alternatives. Future research must focus on optimizing delivery systems to fully realize their translational potential in clinical settings.

银屑病是一种慢性自身免疫性皮肤病，以角质细胞增生和T细胞介导的炎症为特征。影响全球人口的1 - 2% ，它与心血管疾病、代谢综合征和抑郁症等合并症有关。包括局部药物、光疗和生物制剂在内的传统治疗方法可以缓解症状，但由于副作用、高成本和治疗耐药性而受到限制。为了应对这些临床挑战，植物衍生的次生代谢物（植物成分）已经成为更安全、基于机制的替代品。其中，姜黄素、小檗碱和芦荟通过抑制NF-κB、MAPK和STAT3通路，表现出强大的抗炎和免疫调节作用，具有最大的临床翻译前景。这些化合物不仅可以调节细胞因子的产生和角质细胞的增殖，而且还可以解决长期常规治疗的毒性和经济负担。这篇综述整合了目前关于植物成分在牛皮癣治疗中的证据，强调了它们作为有效的、低毒性的辅助剂或替代品的作用。未来的研究必须集中在优化输送系统，以充分发挥其在临床环境中的转化潜力。

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引用次数: 0

Network pharmacology analysis of Simarouba glauca bioactive molecules reveals potential therapeutic targets and mechanistic insights into cancer 青光眼生物活性分子的网络药理学分析揭示了潜在的治疗靶点和治疗癌症的机制

Pharmacological Research - Natural Products

Pub Date : 2026-03-01 Epub Date: 2025-12-23 DOI: 10.1016/j.prenap.2025.100475

Janaranjani Murugesan , Hemamalini Vedagiri , Premkumar Kumpati , Jeyakanthan Jeyaraman

Simarouba glauca, known as dysentery bark, a medicinally important plant has a rich source of secondary metabolites with a wide therapeutic spectrum. Different extracts of the leaf, seed and bark have demonstrated promising effects against cancer studies including breast, liver, lung cancer, etc. However, the precise identification of molecular targets that interact with the secondary metabolites is still unexplored. Network pharmacology(NP) is an integrated approach that helps in the identification of targets specific to the small molecules derived from various sources. It integrates different algorithms on molecule specific target identification, protein-protein interaction(PPI) network analysis and their related pathways. This study attempts to identify the cellular targets for the small molecules from Simarouba glauca using network pharmacology approach. Bioactive small molecules of the plant were retrieved from literature and their molecular targets were identified by integrating cancer PPI network and small molecules-target network. Top hub genes, PARP1, PIK3R1, ADAM17, NOX4, IL6, IL1B, AKT1, ALB, ESR1, SRC, TNF, EGFR, BCL2, STAT3, HIF1A, CASP3, MTOR were identified and functional enrichment analysis of the gene targets indicated their involvement in cell proliferation, evading apoptosis and angiogenesis. Further small molecules-target network, biochemical and drug-likeliness properties, Molecular docking and simulation analysis revealed Idelalisib, Melianone, Methyl reserpate and Phthalic acid as the most potent therapeutic molecules with anti-cancer effects against the hub genes. This study enabled the identification of potential therapeutic cancer targets for the small molecules derived from Simarouba glauca through an integrated in silico approach.

西马芦巴（Simarouba glauca），俗称痢疾树皮，是一种重要的药用植物，具有丰富的次生代谢物来源，具有广泛的治疗作用。叶子、种子和树皮的不同提取物已被证明对癌症有很好的疗效，包括乳腺癌、肝癌、肺癌等。然而，与次生代谢物相互作用的分子靶点的精确鉴定仍未得到探索。网络药理学（NP）是一种综合性的方法，有助于识别来自各种来源的小分子特异性靶标。它集成了分子特异性靶点识别、蛋白-蛋白相互作用（PPI）网络分析及其相关途径的不同算法。本研究试图利用网络药理学方法鉴定青花小分子的细胞靶点。从文献中检索植物中具有生物活性的小分子，通过整合肿瘤PPI网络和小分子-靶点网络，鉴定其分子靶点。鉴定出顶级枢纽基因PARP1、PIK3R1、ADAM17、NOX4、IL6、IL1B、AKT1、ALB、ESR1、SRC、TNF、EGFR、BCL2、STAT3、HIF1A、CASP3、MTOR，功能富集分析表明这些基因靶点参与细胞增殖、逃避凋亡和血管生成。进一步的小分子-靶点网络、生化和药物可能性特性、分子对接和模拟分析表明，Idelalisib、Melianone、reserpate和Phthalic acid是对枢纽基因具有抗癌作用的最有效的治疗分子。本研究通过集成的计算机方法，确定了从青光眼小分子中提取的潜在治疗癌症靶点。

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引用次数: 0

Pharmacological effects and multi-system synergistic mechanisms of verbascoside 毛蕊花苷的药理作用及多系统协同作用机制

Pharmacological Research - Natural Products

Pub Date : 2026-03-01 Epub Date: 2025-12-24 DOI: 10.1016/j.prenap.2025.100479

Luping Rao , Dexian Zeng , Yanhua Wang

Verbascoside (VB), a phenylpropanoid glycoside, has attracted considerable interest for its broad pharmacological activities, such as antioxidant, anti-inflammatory, neuroprotective and metabolic regulatory effects. This review systematically examines the biological effects of VB across multiple physiological systems— immunity, metabolism, oxidative stress and nervous system. It further explores the crosstalk and synergistic interactions among these systems to clarify the mechanistic basis of VB’s multi-target therapeutic potential. By integrating current evidence, this review aims to offer novel perspectives on the application of VB in disease prevention and treatment, thereby informing future translational research and clinical development.

马鞭草糖苷（Verbascoside， VB）是一种苯基丙烷类糖苷，因其具有抗氧化、抗炎、神经保护和代谢调节等广泛的药理作用而受到广泛关注。本文综述了VB在免疫、代谢、氧化应激和神经系统等多个生理系统中的生物学作用。它进一步探讨了这些系统之间的串扰和协同相互作用，以阐明VB多靶点治疗潜力的机制基础。通过整合现有证据，本综述旨在为VB在疾病预防和治疗中的应用提供新的视角，从而为未来的转化研究和临床开发提供信息。

引用次数: 0

Multi-target anti diabetic potential of Syzygium cumini phytochemicals: An in silico analysis 茴香植物化学物质多靶点抗糖尿病潜能的计算机分析

Pharmacological Research - Natural Products

Pub Date : 2026-03-01 Epub Date: 2025-12-27 DOI: 10.1016/j.prenap.2025.100482

M. Kavino , B. Rajagopal , Prasanna. Seenivasan , Abdul. Latheef , S. Rajesh

Diabetes mellitus, a multifactorial disease characterized by chronic hyperglycemia, remains a global health challenge despite existing pharmacotherapies. The complex pathophysiology of diabetes, involving dysregulation in glucose metabolism, insulin signaling, and inflammation, necessitates multi-target therapeutic strategies. Phytochemicals derived from Syzygium cumini have demonstrated significant potential as natural, multi-target antidiabetic agents. This study aims to investigate the bioactive compounds from S. cumini using computational approaches, including molecular docking, ADMET profiling, and network pharmacology. A library of 48 phytochemicals was screened for drug-likeness and cardiotoxicity, with maslinic acid, quercetin, and ellagic acid emerging as key candidates due to favorable pharmacokinetic profiles. Molecular docking revealed strong interactions with critical diabetic targets with maslinic acid showing the highest binding affinity for Dipeptidyl Peptidase-4 (DPP4) (-9.6 kcal/mol). Network pharmacology analysis further demonstrated the multi-target potential of these compounds, highlighting their role in modulating key metabolic pathways related to insulin sensitivity and glucose homeostasis. The results suggest that S. cumini phytochemicals, particularly maslinic acid, quercetin, and ellagic acid, offer promising therapeutic potential for diabetes management through a multi-target approach. This integrative computational approach can help us to find a potential anti-diabetic compound. Future in-vitro and in-vivo studies are warranted to validate these findings and explore synergistic interactions among the compounds for enhanced therapeutic efficacy.

糖尿病是一种以慢性高血糖为特征的多因素疾病，尽管已有药物治疗，但仍是全球健康挑战。糖尿病复杂的病理生理，包括糖代谢、胰岛素信号和炎症的失调，需要多靶点的治疗策略。从茴香中提取的植物化学物质作为天然的、多靶点的抗糖尿病药物已经显示出巨大的潜力。本研究旨在利用分子对接、ADMET谱分析和网络药理学等计算方法研究牛蒡子的生物活性成分。筛选了48种植物化学物质的药物相似性和心脏毒性，由于良好的药代动力学特征，山茱萸酸、槲皮素和鞣花酸成为关键候选物质。分子对接发现，山楂酸与糖尿病关键靶点有很强的相互作用，对二肽基肽酶-4 （DPP4）具有最高的结合亲和力（-9.6 kcal/mol）。网络药理学分析进一步证明了这些化合物的多靶点潜力，突出了它们在调节与胰岛素敏感性和葡萄糖稳态相关的关键代谢途径中的作用。结果表明，山茱萸植物化学物质，特别是山茱萸酸、槲皮素和鞣花酸，通过多靶点的方法为糖尿病治疗提供了有希望的治疗潜力。这种综合计算方法可以帮助我们找到一种潜在的抗糖尿病化合物。未来的体外和体内研究有必要验证这些发现，并探索化合物之间的协同相互作用，以提高治疗效果。

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引用次数: 0

Nanotechnology in phytochemical-based cancer therapy: A comprehensive review of plant-derived nano formulations 纳米技术在植物化学癌症治疗中的应用：植物源纳米制剂的综合综述

Pharmacological Research - Natural Products

Pub Date : 2026-03-01 Epub Date: 2025-12-28 DOI: 10.1016/j.prenap.2025.100484

Sreejan Manna , Pabitra Maity , Poulami Sarkar , Olivia Sen , Sougata Jana , Gouranga Nandi , Ranabir Sahu , Priya Das

Cancer continues to exert a profound impact on global health, with a steadily increasing number of cases and deaths reported each year. Despite notable progress in diagnosis and treatment, many patients still face significant challenges due to the toxicity, limited selectivity, and high cost of conventional cancer therapies. These limitations often compromise treatment outcomes and quality of life, particularly in vulnerable populations, emphasizing the need for safer and more effective therapeutic approaches. Medicinal plants have long served as a rich source of bioactive compounds with demonstrated anticancer potential. Phytochemicals such as polyphenols, alkaloids, and terpenoids exhibit diverse biological activities, including antioxidant, anti-inflammatory, and apoptosis-inducing effects, making them attractive candidates for cancer management. However, their broader clinical application remains constrained by issues such as poor solubility, low stability, rapid metabolism, and inadequate bioavailability. Recent advances in nanotechnology offer promising solutions to these challenges by enabling improved protection, controlled release, and targeted delivery of plant-derived bioactives. In particular, green synthesis of nanoparticles integrates principles of sustainability with therapeutic innovation, enhancing both efficacy and biocompatibility. This review discusses current developments in plant-based anticancer nano formulations, highlights their therapeutic relevance against major cancer types, and outlines key scientific and regulatory challenges that must be addressed to facilitate successful clinical translation.

癌症继续对全球健康产生深远影响，每年报告的病例和死亡人数稳步增加。尽管在诊断和治疗方面取得了显著进展，但由于传统癌症治疗的毒性、有限的选择性和高成本，许多患者仍然面临着重大挑战。这些限制往往会影响治疗结果和生活质量，特别是在弱势人群中，因此需要更安全、更有效的治疗方法。药用植物长期以来一直是具有抗癌潜力的生物活性化合物的丰富来源。植物化学物质如多酚、生物碱和萜类化合物表现出多种生物活性，包括抗氧化、抗炎和诱导细胞凋亡的作用，使它们成为癌症治疗的有吸引力的候选者。然而，其广泛的临床应用仍然受到诸如溶解度差、稳定性低、代谢快和生物利用度不足等问题的限制。纳米技术的最新进展通过改善植物源性生物活性的保护、控制释放和靶向递送，为这些挑战提供了有希望的解决方案。特别是，纳米颗粒的绿色合成将可持续性原则与治疗创新相结合，提高了疗效和生物相容性。这篇综述讨论了目前植物基抗癌纳米制剂的发展，强调了它们对主要癌症类型的治疗相关性，并概述了为促进成功的临床转化必须解决的关键科学和监管挑战。

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引用次数: 0

Comprehensive physicochemical, spectroscopic, and biological evaluation of Rosmarinus officinalis essential oil: From GC-MS profiling to ADMET prediction 迷迭香精油的综合理化、光谱学和生物学评价：从GC-MS分析到ADMET预测

Pharmacological Research - Natural Products

Pub Date : 2026-03-01 Epub Date: 2026-01-21 DOI: 10.1016/j.prenap.2026.100526

Mustapha Mouzaki , Khadija El Ouardy , Soufiane El Megdar , Zakaria benchama , Fatima Hamadi , Abdelaziz Elamrani , Zohra Lemkhente , Youssef Mir

The essential oil (EO) of Rosmarinus officinalis collected from Ouarzazate, Morocco, showed significant antibacterial, antioxidant and antibiofilm activities. A comprehensive physicochemical characterization identified the major bioactive compounds responsible for these effects. The EO was obtained through hydrodistillation, and the chemical composition of the extracted EO was analysed using gas chromatography-mass spectrometry (GC-MS). Physicochemical characterization included Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy (ATR-FTIR) spectroscopy, UV-Vis spectrophotometry, optical rotation (°), refractive index, solubility, and density measurements. The major EO constituents were identified as α-pinene, eucalyptol, and camphor, with physicochemical properties such as an optical rotation of + 6.5°, a refractive index of 1.47, and a density of 0.792. Antioxidant activity, assessed using the DPPH radical scavenging assay, showed 52 % inhibition, while antibacterial tests demonstrated strong inhibitory activity against Gram-positive and Gram-negative bacteria growth, with inhibition zones ranging from 7.33 mm (P. aeruginosa) to 20.83 mm (K. pneumoniae), while MICs varied from 0.20 µL/ml (B. clausii) to 6.45 µL/ml (Enterococcus spp. and MDR E. coli). Additionally significant antibiofilm activity was observed with highest against S. aureus (96 % inhibition at MIC) and lowest against E. coli (46 % at MIC/4). Molecular docking and ADMET in silico studies were consistent with previous in vitro findings, revealing favourable binding affinities and pharmacokinetic properties. This study confirms rosemary EO's potential as an effective antioxidant, antibacterial, and antibiofilm agent. Therefore R. officinalis essential oil may serve as a promising natural therapeutic component for use in traditional medicine, aromatherapy, and future pharmaceutical formulations.

产自摩洛哥瓦尔扎扎特的迷迭香精油具有显著的抗菌、抗氧化和抗生物膜活性。一个全面的物理化学特性确定了主要的生物活性化合物负责这些作用。通过加氢蒸馏得到EO，提取的EO采用气相色谱-质谱（GC-MS）分析其化学成分。物理化学表征包括衰减全反射傅立叶变换红外光谱（ATR-FTIR）光谱，紫外-可见分光光度法，旋光度（°），折射率，溶解度和密度测量。其主要成分为α-蒎烯、桉树醇和樟脑，其理化性质为旋光度为+ 6.5°，折射率为1.47，密度为0.792。使用DPPH自由基清除试验评估抗氧化活性，显示出52 %的抑制作用，而抗菌试验显示对革兰氏阳性和革兰氏阴性细菌的生长具有很强的抑制活性，抑制范围从7.33 mm（铜绿假单胞菌）到20.83 mm（肺炎克雷伯菌），而mic范围从0.20 µL/ml（克氏杆菌）到6.45 µL/ml（肠球菌和耐多药大肠杆菌）。此外，观察到显著的抗菌膜活性，对金黄色葡萄球菌的抑制作用最高（MIC抑制96% %），对大肠杆菌的抑制作用最低（MIC/4抑制46% %）。分子对接和ADMET在计算机上的研究与之前的体外研究结果一致，显示出良好的结合亲和力和药代动力学特性。这项研究证实了迷迭香精油作为一种有效的抗氧化剂、抗菌剂和抗生物膜剂的潜力。因此，马蹄草精油可以作为一种有前途的天然治疗成分，用于传统医学、芳香疗法和未来的药物配方中。

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引用次数: 0