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Chemical Composition, Antimicrobial Activity, and Molecular Docking of the Main Phytoconstituents from Three Rarely Investigated Marine Macroalgae 三种罕见海洋大型藻类主要植物成分的化学成分、抗菌活性和分子对接研究
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-25 DOI: 10.1177/1934578x241261016
Nehal A.H.K Osman, Mohamed S. Nafie, Hee-Kyoung Kang, Jin Won Hyun, Young-Sang Koh
Objective: This study aimed to investigate the phytochemical and mineral compositions, antimicrobial activities, and molecular docking of 3 abundant and understudied seaweeds ( Cystoseira trinodis, Padina boryana, and Turbinaria triquetra). Methods: Extraction was performed using absolute ethanol, and chemical and mineral compositions were determined using the standard methods of the Association of Official Analytical Chemists. Total phenolics and flavonoids were assessed using the Folin-Ciocalteu and aluminum chloride methods, respectively. Chemical composition was screened using gas chromatography-mass spectrometry (GC-MS), and antimicrobial activity was evaluated using a disc diffusion assay. In addition, molecular docking analysis of the main compounds was performed. Results: The samples had high ash, carbohydrate, and fiber contents. The results showed high amount of Na, K, Mg, Ca, and Fe, with the highest values for Ca. Trace elements such as Cu, Mn, and Zn were found in low amounts in the studied species. The content of total phenolics ranged from 15.54 ± 0.1 to 39.5 ± 0.2 mg gallic acid equivalent/g. For flavonoid, it ranged from 3.4 ± 0.3 to 1.5 ± 0.2 mg rutin/g. GC-MS revealed 9 major compounds, mainly fatty acids, which have been reported to have antimicrobial activity. The antimicrobial results indicated a higher impact of the extracts against bacteria ( Bacillus subtilis, Staphylococcus aureus, Escherichia coli and Proteus vulgaris) than against fungi ( Candida albicans and Aspergillus fumigatus), and a stronger dose-dependent effect against gram-positive ( B. subtilis and S. aureus) bacteria than against gram-negative bacteria ( E. coli and P. vulgaris). Molecular docking identified 1,2-benzenedicarboxylic acid mono(2-ethylhexyl) ester as the highest binding compound for penicillin-binding protein 6, suggesting its potential antimicrobial activity. Conclusion: These findings suggest that these seaweed species could serve as promising sources of functional foods with antimicrobial properties, with potential applications in the nutraceutical and pharmaceutical fields.
研究目的本研究旨在调查 3 种丰富但未被充分研究的海藻(Cystoseira trinodis、Padina boryana 和 Turbinaria triquetra)的植物化学成分、矿物质成分、抗菌活性和分子对接。方法:使用绝对乙醇进行提取,并使用官方分析化学家协会的标准方法测定化学成分和矿物质成分。总酚和类黄酮分别采用 Folin-Ciocalteu 法和氯化铝法进行评估。化学成分采用气相色谱-质谱法(GC-MS)进行筛选,抗菌活性采用盘扩散法进行评估。此外,还对主要化合物进行了分子对接分析。研究结果样品的灰分、碳水化合物和纤维含量较高。结果显示,Na、K、Mg、Ca 和 Fe 的含量较高,其中 Ca 的含量最高。研究物种中铜、锰和锌等微量元素含量较低。总酚的含量范围为 15.54 ± 0.1 至 39.5 ± 0.2 毫克没食子酸当量/克。黄酮类化合物的含量范围为 3.4 ± 0.3 至 1.5 ± 0.2 毫克芦丁/克。气相色谱-质谱(GC-MS)显示了 9 种主要化合物,主要是脂肪酸,据报道这些化合物具有抗菌活性。抗菌结果表明,萃取物对细菌(枯草杆菌、金黄色葡萄球菌、大肠杆菌和普通变形杆菌)的抗菌作用高于对真菌(白色念珠菌和烟曲霉)的抗菌作用,对革兰氏阳性菌(枯草杆菌和金黄色葡萄球菌)的抗菌作用与剂量有关,高于对革兰氏阴性菌(大肠杆菌和普通变形杆菌)的抗菌作用。分子对接发现,1,2-苯二甲酸单(2-乙基己酯)是与青霉素结合蛋白 6 结合率最高的化合物,这表明它具有潜在的抗菌活性。结论这些研究结果表明,这些海藻物种可作为具有抗菌特性的功能食品的理想来源,在营养保健品和制药领域具有潜在的应用前景。
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引用次数: 0
Dracocephalum moldavica L. Extract Ameliorates Hypertension Through Modulating the Interaction Between miRNAs and Gut Microbiota in 2K1C Rats 龙脑提取物通过调节 2K1C 大鼠体内 miRNA 与肠道微生物群之间的相互作用改善高血压状况
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-25 DOI: 10.1177/1934578x241261020
Hui Yu, Zhangjun Chen, Huixia Chen, Zhanli Wang
Aim: To investigate the therapeutic effects of Dracocephalum moldavica L. extract (DME) against hypertension and elucidate the underlying molecular mechanism. Method: A two-kidney one-clip (2K1C) model was established in male Wistar rats, and DME or saline was administered via oral gavage for 4 weeks. Subsequently, the blood pressure was monitored. Fecal microRNAs (miRNAs), gut microbes, and host metabolites were evaluated through miRNA sequencing, 16S rRNA gene sequencing, and serum metabolomics analysis, respectively. Results: DME administration attenuated 2K1C-induced hypertension in rats. Additionally, DME alleviated the dysregulation of miRNA expression and gut microbiota dysbiosis in 2K1C rats. The correlation analysis confirmed the association of the differentially expressed miRNAs with gut microbes. Furthermore, non-targeted metabolomics analysis revealed different metabolic profiles in the serum of 2K1C rats compared to control rats. Interestingly, the changes in those serum metabolites were partially attenuated by DME. The metabolite enrichment analysis demonstrated that the differentially expressed metabolites were mainly involved in three metabolic pathways (Arachidonic acid metabolism, TCA cycle, and Alanine, aspartate and glutamate metabolism). Conclusion: DME can be suggested as an effective intervention in the prevention of hypertension through modulating the miRNAs, gut microbiota, and host metabolites. Our findings may give new insights regarding the treatment of hypertension.
目的:研究Dracocephalum moldavica L.提取物(DME)对高血压的治疗作用,并阐明其分子机制。方法:采用双肾单夹(2K)模型:在雄性Wistar大鼠体内建立双肾单夹(2K1C)模型,通过口腔灌胃给药DME或生理盐水,持续4周。随后监测血压。通过 miRNA 测序、16S rRNA 基因测序和血清代谢组学分析,分别对粪便微RNA(miRNA)、肠道微生物和宿主代谢物进行了评估。结果显示服用二甲亚硝胺可减轻2K1C诱导的大鼠高血压。此外,DME还缓解了2K1C大鼠体内miRNA表达失调和肠道微生物群失调。相关性分析证实了差异表达的 miRNA 与肠道微生物之间的联系。此外,非靶向代谢组学分析显示,与对照组大鼠相比,2K1C 大鼠血清中的代谢谱有所不同。有趣的是,这些血清代谢物的变化在一定程度上被二甲亚硝胺所减弱。代谢物富集分析表明,差异表达的代谢物主要涉及三个代谢途径(花生四烯酸代谢、TCA 循环以及丙氨酸、天门冬氨酸和谷氨酸代谢)。结论通过调节 miRNA、肠道微生物群和宿主代谢物,DME 可作为预防高血压的有效干预措施。我们的研究结果可为高血压的治疗提供新的见解。
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引用次数: 0
Flavonoid Variability in Carica papaya L. var. Sekaki Leaf Maturation and Its Association With Sexual Differentiation Using Targeted Metabolomics 利用靶向代谢组学研究番木瓜叶片成熟过程中的类黄酮变异及其与性分化的关系
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-25 DOI: 10.1177/1934578x241260175
Norazlan Mohmad Misnan, Adlin Afzan, Maizatul Hasyima Omar, Kah Hin Low
BackgroundCarica papaya L. is a dioecious plant with leaves known for their medicinal and nutritional value due to their rich phytochemical content, including flavonoids. Phytochemical variability arising from plant maturity and sex differences may influence the bioactivity of the plant.ObjectivesThis research aims to investigate the variations of flavonoids in C. papaya leaves across different maturation stages and the impact of sex differences on the accumulation of these compounds.MethodsAn ultra-high performance liquid chromatography–tandem mass spectrometry method was developed to quantify 6 flavonoids (manghaslin, clitorin, rutin, nicotiflorin, quercetin, and isorhamnetin) in the leaves simultaneously. The acquired data were further analyzed using chemometric tools.ResultsSignificantly higher concentrations of flavonoids were observed in shoots and young leaves in comparison to older leaves. Furthermore, distinct variations in flavonoid composition between male and female plants were also observed, especially in young leaves, as evidenced by hierarchical clustering analysis. Further analysis of flavonoid content indicates that clitorin, nicotiflorin, and rutin could serve as chemical markers to differentiate maturation stages and sexes.ConclusionThe study revealed significant variations in flavonoid concentrations during leaf development and between male and female plants, highlighting the importance of understanding these differences for unlocking the full potential of C. papaya leaves in medical and nutritional applications.
背景木瓜(Carica papaya L.)是一种雌雄异株植物,其叶片因含有丰富的植物化学物质(包括类黄酮)而具有药用和营养价值。本研究旨在探讨木瓜叶片中黄酮类化合物在不同成熟阶段的变化以及性别差异对这些化合物积累的影响。方法采用超高效液相色谱-串联质谱法同时定量检测木瓜叶片中的6种黄酮类化合物(莽草素、木犀草素、芦丁、烟花素、槲皮素和异鼠李素)。结果与老叶相比,嫩枝和嫩叶中黄酮类化合物的浓度明显更高。此外,通过分层聚类分析,还观察到雌雄植株的类黄酮组成存在明显差异,尤其是在嫩叶中。对黄酮类化合物含量的进一步分析表明,花蒂素、烟花素和芦丁可作为区分成熟阶段和性别的化学标记。
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引用次数: 0
The Chemical Composition of Essential Oil and Headspace Volatiles of Balkan Endemic Taxon Achillea ×vandasii Velen 巴尔干特有类群 Achillea ×vandasii Velen 的精油化学成分和顶空挥发性物质
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-25 DOI: 10.1177/1934578x241264624
Snežana Č. Jevtović, Jelena P. Stojković, Zorica S. Mitić, Marjan S. Niketić, Gordana S. Stojanović
BackgroundGenus Achillea L., one of the largest and the most taxonomically complicated genera of the Asteraceae family, has a complex phyletic structure due to excessive hybridization and polyploidy, which especially occurs among species from the Achillea section. Although the genus has been investigated in detail, a hybrid Achillea ×vandasii Velen has not been studied for volatile profiles. Thus, this study aimed to analyze and compare headspace volatiles (HSVs) from rosette leaf, stem leaf, stem, and inflorescence as well as essential oil (EO) of plant aerial parts.MethodsThe chemical composition of the headspace volatiles and essential oil of a hybrid Achillea ×vandasii Velen. were analyzed by gas chromatography with a flame ionization detector (GC-FID) and gas chromatography-mass spectrometry (GC-MS).ResultsThe distribution among HSVs depends on the plant organ investigated. Generally, monoterpene hydrocarbons and oxygenated monoterpenes were dominant in all headspace samples, primarily 1,8-cineole followed by α-pinene and β-pinene. Sesquiterpenoids were absent or presented in a low percentage. Unlike HSVs, the EO was abundant in sesquiterpene hydrocarbons and their oxygenated derivates. Among all, caryophyllene oxide, α-cadinol, and germacrene D were dominant in the studied essential oil.ConclusionsThe results showed that the qualitative and quantitative composition of studied headspace volatiles and essential oil differ significantly in terms of terpene content. Considering the hybrid origin of the studied taxon and obtained volatile profiles, the tested hybrid shows no or very weak agreement with the parental species.
背景蓍草属(Achillea L.)是菊科中最大、分类最复杂的属之一,由于过度杂交和多倍体,其植物结构十分复杂,尤其是在蓍草科的物种之间。虽然已经对该属进行了详细研究,但尚未对杂交种 Achillea ×vandasii Velen 的挥发性特征进行研究。因此,本研究旨在分析和比较莲座叶、茎叶、茎和花序的顶空气体挥发物(HSVs)以及植物气生部分的精油(EO)。结果 HSVs 之间的分布取决于所研究的植物器官。一般来说,单萜烃和含氧单萜在所有顶空样品中占主导地位,主要是 1,8-蒎烯,其次是 α-蒎烯和β-蒎烯。倍半萜类化合物不存在或含量较低。与 HSV 不同,环氧乙烷富含倍半萜烃及其含氧衍生物。结论结果表明,所研究的顶空挥发物和精油在萜烯含量的定性和定量组成方面存在显著差异。考虑到所研究分类群的杂交起源和所获得的挥发性特征,所测试的杂交种与亲本物种没有或只有很弱的一致性。
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引用次数: 0
Exploring (Un)Covered Potentials of Industrial Hemp (Cannabis sativa L.) Essential Oil and Hydrolate: From Chemical Characterization to Biological Activities 探索工业大麻(Cannabis sativa L.)精油和水合物的(未)覆盖潜力:从化学特性到生物活性
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-25 DOI: 10.1177/1934578x241264712
Olja Šovljanski, Milica Aćimović, Vladimir Sikora, Anamarija Koren, Anja Saveljić, Ana Tomić, Vele Tešević
ObjectivesThe present study focused on exploring the chemical composition of essential oil and corresponding hydrolate obtained by steam distillation of industrial hemp ( Cannabis sativa L.) cultivar “Helena” (low THC content).MethodsChemical characterization of industrial hemp essential oil and hydrolate was performed by gas chromatographic and gas chromatographic-mass spectrometric analysis, while biological activities included antimicrobial and antioxidant tests. Antimicrobial activity was determined by measuring diameters of the inhibition zone by using a disc-diffusion method with nine microbial strains from ATCC culture. Moreover, minimal inhibitory concentration (MIC) as well as time-kill kinetic studies, antiadhesion, and antibiofilm formation potential were also evaluated. Antioxidant activity was evaluated through three different antioxidant assays: 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azinobis-3-ethylbenzothiazoline-6-sulphonic acid (ABTS●+), and reducing power (RP).ResultsThe gas chromatography mass spectrometry analysis showed that the main compound in the essential oil was trans-caryophyllene (37.4%), followed by caryophyllene oxide (12.4%) and α-humulene (11.0%), while in the hydrolate it was 1,8-cineole (11.5%). Results showed that industrial hemp essential oil and hydrolate exhibited no antimicrobial activity against gram-negative bacteria, yeasts, and fungi, while gram-positive bacteria were sensitive. Therefore, in the following step, MIC was determined by microdilution method. The lowest MIC for essential oil (12.5%) was obtained for Enterococcus faecalis and Staphylococcus aureus, while this value doubled for Listeria monocytogenes. Conversely, the MIC for hydrolate was 100% for all gram-positive bacteria. Antioxidant activity showed that industrial hemp essential oil and hydrolate have potential as natural sources of antioxidants.ConclusionThis research confirmed the previously proven antimicrobial and antioxidant activities of industrial hemp essential oil. The novelty lies in the antimicrobial and antioxidant activity of hydrolate, which is practically waste, but has great potential to be a useful by-product.
本研究的重点是探索工业大麻(Cannabis sativa L.)栽培品种 "Helena"(四氢大麻酚含量低)通过水蒸气蒸馏法获得的精油和相应的水合产物的化学成分。方法通过气相色谱和气相色谱-质谱分析法对工业大麻精油和水合产物进行化学表征,生物活性包括抗菌和抗氧化测试。抗菌活性的测定是通过使用盘扩散法测量九种来自 ATCC 培养物的微生物菌株的抑菌区直径。此外,还对最小抑菌浓度(MIC)、时间致死动力学研究、抗粘附性和抗生菌膜形成潜力进行了评估。抗氧化活性通过三种不同的抗氧化检测方法进行评估:2,2-二苯基-1-苦基肼(DPPH●)、2,2′-偶氮二异-3-乙基苯并噻唑啉-6-磺酸(ABTS●+)和还原力(RP)。结果气相色谱质谱分析表明,精油中的主要化合物是反式叶绿素(37.4%),其次是氧化叶绿素(12.4%)和α-胡麻烯(11.0%),而水解产物中的主要化合物是 1,8-蒎烯(11.5%)。结果表明,工业大麻精油和水合酯对革兰氏阴性菌、酵母菌和真菌没有抗菌活性,而对革兰氏阳性菌敏感。因此,下一步采用微量稀释法测定 MIC。粪肠球菌和金黄色葡萄球菌对精油的 MIC 最低(12.5%),而对单核细胞增生李斯特菌的 MIC 值则增加了一倍。相反,水合酯对所有革兰氏阳性菌的 MIC 值为 100%。抗氧化活性表明,工业大麻精油和水合酸盐具有作为天然抗氧化剂来源的潜力。新颖之处在于水合酸盐的抗菌和抗氧化活性,水合酸盐实际上是一种废物,但具有成为有用副产品的巨大潜力。
{"title":"Exploring (Un)Covered Potentials of Industrial Hemp (Cannabis sativa L.) Essential Oil and Hydrolate: From Chemical Characterization to Biological Activities","authors":"Olja Šovljanski, Milica Aćimović, Vladimir Sikora, Anamarija Koren, Anja Saveljić, Ana Tomić, Vele Tešević","doi":"10.1177/1934578x241264712","DOIUrl":"https://doi.org/10.1177/1934578x241264712","url":null,"abstract":"ObjectivesThe present study focused on exploring the chemical composition of essential oil and corresponding hydrolate obtained by steam distillation of industrial hemp ( Cannabis sativa L.) cultivar “Helena” (low THC content).MethodsChemical characterization of industrial hemp essential oil and hydrolate was performed by gas chromatographic and gas chromatographic-mass spectrometric analysis, while biological activities included antimicrobial and antioxidant tests. Antimicrobial activity was determined by measuring diameters of the inhibition zone by using a disc-diffusion method with nine microbial strains from ATCC culture. Moreover, minimal inhibitory concentration (MIC) as well as time-kill kinetic studies, antiadhesion, and antibiofilm formation potential were also evaluated. Antioxidant activity was evaluated through three different antioxidant assays: 2,2-diphenyl-1-picrylhydrazyl (DPPH<jats:sup>●</jats:sup>), 2,2′-azinobis-3-ethylbenzothiazoline-6-sulphonic acid (ABTS<jats:sup>●+</jats:sup>), and reducing power (RP).ResultsThe gas chromatography mass spectrometry analysis showed that the main compound in the essential oil was trans-caryophyllene (37.4%), followed by caryophyllene oxide (12.4%) and α-humulene (11.0%), while in the hydrolate it was 1,8-cineole (11.5%). Results showed that industrial hemp essential oil and hydrolate exhibited no antimicrobial activity against gram-negative bacteria, yeasts, and fungi, while gram-positive bacteria were sensitive. Therefore, in the following step, MIC was determined by microdilution method. The lowest MIC for essential oil (12.5%) was obtained for Enterococcus faecalis and Staphylococcus aureus, while this value doubled for Listeria monocytogenes. Conversely, the MIC for hydrolate was 100% for all gram-positive bacteria. Antioxidant activity showed that industrial hemp essential oil and hydrolate have potential as natural sources of antioxidants.ConclusionThis research confirmed the previously proven antimicrobial and antioxidant activities of industrial hemp essential oil. The novelty lies in the antimicrobial and antioxidant activity of hydrolate, which is practically waste, but has great potential to be a useful by-product.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"57 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778602","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recent Development of a Traditional Herbal Medicine, Stixis suaveolens (Roxb.) Pierre: Its Botany, Ethnomedicine, Phytochemistry, Pharmacology, and Toxicology 传统草药 Stixis suaveolens (Roxb.) Pierre 的最新发展:植物学、民族医药学、植物化学、药理学和毒理学
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-23 DOI: 10.1177/1934578x241262896
Tran Van Chen, Nguyen Trong Nghia, Nguyen Thi Thu Hien
Background/ObjectivePlant-based products and their isolated compounds have been utilized in traditional medicine since early times. In folk medicine, Stixis suaveolens (Roxb.) Pierre has been used to treat painful tendons and bones, rheumatism, eye infections, cough, malaria, asthma, and cardiovascular diseases. This study aims to summarize up-to-date botany, ethnomedicine, phytochemical components, pharmacological effects, and toxicology.MethodsInformation on S. suaveolens was collected from databases such as the Web of Science, Scopus, Google Scholar, PubMed, Science Direct, Springer, and others.ResultsS. suaveolens has been demonstrated to possess various pharmacological effects, including antioxidant, antimicrobial, anti-inflammatory, antidiabetic, antidepressant, antidiarrheal, hepatoprotective, analgesic, antihemolytic, and thrombolytic activities. Phytochemical studies of this species have revealed the presence of secondary metabolites, including lignans, phenolics, alkaloids, and volatile components.ConclusionThe pharmacological effects of the extracts and bioactive compounds resulting from the experimental studies in the review support the traditional uses of S. suaveolens. They could be useful in developing novel pharmacological applications in the treatment of various acute and chronic human ailments. The efficacy, safety, and toxicity of S. suaveolens plant in enhancing therapeutic efficacy should be investigated widely in further studies.
背景/目的植物类产品及其分离化合物很早就被用于传统医药中。在民间医药中,皮埃尔(Stixis suaveolens (Roxb.) Pierre)被用于治疗筋骨疼痛、风湿、眼部感染、咳嗽、疟疾、哮喘和心血管疾病。本研究旨在总结最新的植物学、民族医药学、植物化学成分、药理作用和毒理学。方法从 Web of Science、Scopus、Google Scholar、PubMed、Science Direct、Springer 等数据库中收集有关 S. suaveolens 的信息。结果已证明蛇床子具有多种药理作用,包括抗氧化、抗菌、抗炎、抗糖尿病、抗抑郁、止泻、保肝、镇痛、抗溶血和溶栓活性。对该物种进行的植物化学研究表明,其存在次生代谢物,包括木脂素、酚类、生物碱和挥发性成分。它们可用于开发治疗人类各种急慢性疾病的新型药理应用。应在进一步的研究中广泛调查 S. suaveolens 植物在提高疗效方面的功效、安全性和毒性。
{"title":"Recent Development of a Traditional Herbal Medicine, Stixis suaveolens (Roxb.) Pierre: Its Botany, Ethnomedicine, Phytochemistry, Pharmacology, and Toxicology","authors":"Tran Van Chen, Nguyen Trong Nghia, Nguyen Thi Thu Hien","doi":"10.1177/1934578x241262896","DOIUrl":"https://doi.org/10.1177/1934578x241262896","url":null,"abstract":"Background/ObjectivePlant-based products and their isolated compounds have been utilized in traditional medicine since early times. In folk medicine, Stixis suaveolens (Roxb.) Pierre has been used to treat painful tendons and bones, rheumatism, eye infections, cough, malaria, asthma, and cardiovascular diseases. This study aims to summarize up-to-date botany, ethnomedicine, phytochemical components, pharmacological effects, and toxicology.MethodsInformation on S. suaveolens was collected from databases such as the Web of Science, Scopus, Google Scholar, PubMed, Science Direct, Springer, and others.ResultsS. suaveolens has been demonstrated to possess various pharmacological effects, including antioxidant, antimicrobial, anti-inflammatory, antidiabetic, antidepressant, antidiarrheal, hepatoprotective, analgesic, antihemolytic, and thrombolytic activities. Phytochemical studies of this species have revealed the presence of secondary metabolites, including lignans, phenolics, alkaloids, and volatile components.ConclusionThe pharmacological effects of the extracts and bioactive compounds resulting from the experimental studies in the review support the traditional uses of S. suaveolens. They could be useful in developing novel pharmacological applications in the treatment of various acute and chronic human ailments. The efficacy, safety, and toxicity of S. suaveolens plant in enhancing therapeutic efficacy should be investigated widely in further studies.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"61 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778611","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ripe Musa sapientum Peels Exhibit Neuroprotection Against Lead Acetate-Induced Brain Damage in Wistar Rats 成熟麝香果皮对醋酸铅诱导的 Wistar 大鼠脑损伤具有神经保护作用
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-23 DOI: 10.1177/1934578x241265192
Uduak Anthony Inwang, Ezekiel Etim Ben, Obinna Onwe Uchewa, Ekementeabasi Aniebo Umoh, Azubuike Raphael Nwaji
Objective: Human health has continued to be at risk from lead exposure. This study explored the antioxidative potential of ethanol extract of ripe Musa sapientum peels to protect against lead acetate-induced neuronal insult in female wistar rats. Methods: Thirty adult female rats (120-160 g) were randomly divided into six groups (n = 5): Group 1 (control group) received 10 mL/kg of distilled water; Group 2 received 100 mg/kg lead acetate. Group 3 received 2.5 mg/kg of donepezil. Groups 4 to 6 received 100, 200, and 400 mg/kg ethanol extract of ripe M sapientum, respectively, via oral gavage. Groups 2 to 5 were co-treated with 100 mg/kg lead acetate for 21 days. Neurobehavioral parameter, biochemical and histological analyses of the hippocampus were determined. Recognition memory was evaluated using Novel Object Recognition Test. Results: There was a significant ( p < 0.05) increase in total exploration, discrimination index, and percentage alternation in the ethanol extract M sapientum-treated groups compared with the lead acetate-induced group. M sapientum ethanol extract and dopamine significantly ( p < 0.05) reduced acetylcholinesterase enzyme (AChE) and malondialdehyde (MDA) activities in a dose-dependent manner and significantly ( p < 0.05) increased superoxide dismutase activity (SOD) dose dependently, respectively. In the histopathological analysis of the hippocampal area, there were mild vacuolation (V), mild degeneration as well as mild granular cell atrophy in the treated groups, suggesting that M sapientum may have neuroprotective properties. Conclusion: Ethanol extract of ripe M sapientum peels enhanced cognitive functions and may be beneficial in preventing neurodegenerative disorders via antioxidant mechanism.
目的:人类健康一直受到铅暴露的威胁。本研究探讨了成熟麝香果皮乙醇提取物的抗氧化潜力,以保护雌性wistar大鼠免受醋酸铅诱导的神经元损伤。研究方法将 30 只成年雌性大鼠(120-160 克)随机分为 6 组(n = 5):第 1 组(对照组)接受 10 mL/kg 的蒸馏水;第 2 组接受 100 mg/kg 的醋酸铅。第 3 组接受 2.5 毫克/千克多奈哌齐。第 4 至第 6 组分别口服 100、200 和 400 毫克/千克成熟无患子乙醇提取物。第 2 至第 5 组同时接受 100 毫克/千克醋酸铅治疗,为期 21 天。对海马的神经行为参数、生化和组织学分析进行了测定。使用新物体识别测试评估识别记忆。结果显示与醋酸铅诱导组相比,无患子乙醇提取物处理组的总探索量、辨别指数和交替百分比均有明显增加(p < 0.05)。无患子乙醇提取物和多巴胺分别以剂量依赖的方式显著降低乙酰胆碱酯酶(AChE)和丙二醛(MDA)活性,并显著提高超氧化物歧化酶(SOD)活性。在海马区的组织病理学分析中,处理组出现轻度空泡化(V)、轻度变性和轻度颗粒细胞萎缩,这表明无患子可能具有神经保护特性。结论成熟无患子果皮的乙醇提取物可增强认知功能,并可通过抗氧化机制预防神经退行性疾病。
{"title":"Ripe Musa sapientum Peels Exhibit Neuroprotection Against Lead Acetate-Induced Brain Damage in Wistar Rats","authors":"Uduak Anthony Inwang, Ezekiel Etim Ben, Obinna Onwe Uchewa, Ekementeabasi Aniebo Umoh, Azubuike Raphael Nwaji","doi":"10.1177/1934578x241265192","DOIUrl":"https://doi.org/10.1177/1934578x241265192","url":null,"abstract":"Objective: Human health has continued to be at risk from lead exposure. This study explored the antioxidative potential of ethanol extract of ripe Musa sapientum peels to protect against lead acetate-induced neuronal insult in female wistar rats. Methods: Thirty adult female rats (120-160 g) were randomly divided into six groups (n = 5): Group 1 (control group) received 10 mL/kg of distilled water; Group 2 received 100 mg/kg lead acetate. Group 3 received 2.5 mg/kg of donepezil. Groups 4 to 6 received 100, 200, and 400 mg/kg ethanol extract of ripe M sapientum, respectively, via oral gavage. Groups 2 to 5 were co-treated with 100 mg/kg lead acetate for 21 days. Neurobehavioral parameter, biochemical and histological analyses of the hippocampus were determined. Recognition memory was evaluated using Novel Object Recognition Test. Results: There was a significant ( p &lt; 0.05) increase in total exploration, discrimination index, and percentage alternation in the ethanol extract M sapientum-treated groups compared with the lead acetate-induced group. M sapientum ethanol extract and dopamine significantly ( p &lt; 0.05) reduced acetylcholinesterase enzyme (AChE) and malondialdehyde (MDA) activities in a dose-dependent manner and significantly ( p &lt; 0.05) increased superoxide dismutase activity (SOD) dose dependently, respectively. In the histopathological analysis of the hippocampal area, there were mild vacuolation (V), mild degeneration as well as mild granular cell atrophy in the treated groups, suggesting that M sapientum may have neuroprotective properties. Conclusion: Ethanol extract of ripe M sapientum peels enhanced cognitive functions and may be beneficial in preventing neurodegenerative disorders via antioxidant mechanism.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"31 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778609","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fatty Acid Esters and Acyclic Monoterpenoid from Justicia insularis Leaf Fractions Attenuated Malaria Pathogenesis Through Docking with Plasmodium falciparum Serine Hydroxymethyl Transferase and Plasmodium falciparum Erythrocyte Membrane Protein 1 Proteins 海岛菊叶萃取物中的脂肪酸酯和无环单萜通过与恶性疟原虫丝氨酸羟甲基转移酶和恶性疟原虫红血球膜蛋白 1 蛋白对接减轻疟疾的致病机理
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-23 DOI: 10.1177/1934578x241264995
Veronica James Enyiekere, Edet Effiong Asanga, Jude Efiom Okokon, Chinedum Martins Ekeleme, Martin Osita Anagboso, Ise Peter Uduak
BackgroundJusticia insularis (Acanthaceae) T. Anderson is ethnopharmacologically used in Nigeria for the treatment of diseases including malaria. Therefore, this study was designed to investigate in vivo antiplasmodial effect of J. insularis leaf in Plasmodium berghei-infected mice, characterize its constituents, and carryout in silico studies of its compounds.MethodsStandard protocols were followed in the processing of the plant leaves, extraction, fractionation, isolation, and characterization, evaluation of in vivo antiplasmodial assay, retrieval of Plasmodium falciparum serine hydroxymethyl transferase (PfSHMT) and Plasmodium falciparum erythrocyte membrane protein 1 (PfEMP-1) proteins, absorption, distribution, metabolism, excretion, and toxicity (ADMET), and docking studies. Gas chromatography-mass spectrometry (GC-MS) was employed to isolate and characterize the compounds; SWISSADME and ADMET lab 2 enhanced the evaluation of pharmacokinetic properties, PyRx for docking analysis; Biovia discovery studio for 2D visualization, and PyMol software for 3D visualization of the ligand-protein interactions.ResultsThe dichloromethane (61.59%) and ethyl acetate (73.15%) fractions had the best therapeutic indices and compared favorably with chloroquine (81.58%) in the curative antiplasmodial assay. The GC-MS analysis revealed 20 already reported antiplasmodial compounds with hexanoic acid 1,1-dimethylethyl ester, octadecanoic acid docosyl ester, and trans-β-ocimene as the lead compounds based on their binding affinities, permeation of the blood-brain-barrier, non-inhibition of metabolizing enzymes, ease of excretion, non-carcinogenicity, as well as non-violation of Lipinski's criteria.ConclusionOctadecanoic acid docosyl ester and hexanoic acid 1,1-dimethylethyl ester bonded the tetrahydrofolate-binding sites of PfSHMT, caused inhibition of DNA synthesis, and apoptosis, whereas trans-β-ocimene inhibited PfEMP-1, reversed the attachment of parasitized red blood cells to micro-vascular endothelium as their mechanism of action for parasitemia clearance. Moreover, these lead compounds reported for the first time in the dichloromethane and EtoAc fractions of this plant are responsible for the remarkable antiplasmodial activity observed in this study.
背景Justicia insularis (Acanthaceae) T. Anderson 在尼日利亚被用于治疗包括疟疾在内的各种疾病。因此,本研究旨在调查 J. insularis 叶片对受伯格希氏疟原虫感染的小鼠的体内抗疟效果,确定其成分的特征,并对其化合物进行硅学研究。方法在植物叶片的加工、提取、分馏、分离和表征、体内抗疟试验评估、恶性疟原虫丝氨酸羟甲基转移酶(PfSHMT)和恶性疟原虫红细胞膜蛋白 1(PfEMP-1)蛋白的回收、吸收、分布、代谢、排泄和毒性(ADMET)以及对接研究等方面均遵循了标准方案。气相色谱-质谱联用仪(GC-MS)用于分离和表征化合物;SWISSADME 和 ADMET 实验室 2 增强了药代动力学特性的评估;PyRx 用于对接分析;Biovia discovery studio 用于二维可视化;PyMol 软件用于配体与蛋白质相互作用的三维可视化。结果二氯甲烷(61.59%)和乙酸乙酯(73.15%)馏分的治疗指数最高,在抗疟治疗试验中与氯喹(81.58%)相比效果更好。气相色谱-质谱分析发现了 20 种已报道的抗疟化合物,其中以己酸 1,1 二甲基乙酯、十八酸二十二烷基酯和反式-β-ocimene 为首要化合物,其依据是这些化合物的结合亲和力、血脑屏障渗透性、不抑制代谢酶、易于排泄、无致癌性以及不违反利平斯基标准。结论十八酸二十二烷基酯和十六酸 1,1-二甲基乙酯结合了 PfSHMT 的四氢叶酸结合位点,抑制了 DNA 合成并导致细胞凋亡,而反式-β-ocimene 则抑制了 PfEMP-1,逆转了寄生红细胞与微血管内皮的附着,这是它们清除寄生虫血症的作用机制。此外,在该植物的二氯甲烷和 EtoAc 馏分中首次发现的这些先导化合物是本研究中观察到的显著抗疟活性的原因。
{"title":"Fatty Acid Esters and Acyclic Monoterpenoid from Justicia insularis Leaf Fractions Attenuated Malaria Pathogenesis Through Docking with Plasmodium falciparum Serine Hydroxymethyl Transferase and Plasmodium falciparum Erythrocyte Membrane Protein 1 Proteins","authors":"Veronica James Enyiekere, Edet Effiong Asanga, Jude Efiom Okokon, Chinedum Martins Ekeleme, Martin Osita Anagboso, Ise Peter Uduak","doi":"10.1177/1934578x241264995","DOIUrl":"https://doi.org/10.1177/1934578x241264995","url":null,"abstract":"BackgroundJusticia insularis (Acanthaceae) T. Anderson is ethnopharmacologically used in Nigeria for the treatment of diseases including malaria. Therefore, this study was designed to investigate in vivo antiplasmodial effect of J. insularis leaf in Plasmodium berghei-infected mice, characterize its constituents, and carryout in silico studies of its compounds.MethodsStandard protocols were followed in the processing of the plant leaves, extraction, fractionation, isolation, and characterization, evaluation of in vivo antiplasmodial assay, retrieval of Plasmodium falciparum serine hydroxymethyl transferase (PfSHMT) and Plasmodium falciparum erythrocyte membrane protein 1 (PfEMP-1) proteins, absorption, distribution, metabolism, excretion, and toxicity (ADMET), and docking studies. Gas chromatography-mass spectrometry (GC-MS) was employed to isolate and characterize the compounds; SWISSADME and ADMET lab 2 enhanced the evaluation of pharmacokinetic properties, PyRx for docking analysis; Biovia discovery studio for 2D visualization, and PyMol software for 3D visualization of the ligand-protein interactions.ResultsThe dichloromethane (61.59%) and ethyl acetate (73.15%) fractions had the best therapeutic indices and compared favorably with chloroquine (81.58%) in the curative antiplasmodial assay. The GC-MS analysis revealed 20 already reported antiplasmodial compounds with hexanoic acid 1,1-dimethylethyl ester, octadecanoic acid docosyl ester, and trans-β-ocimene as the lead compounds based on their binding affinities, permeation of the blood-brain-barrier, non-inhibition of metabolizing enzymes, ease of excretion, non-carcinogenicity, as well as non-violation of Lipinski's criteria.ConclusionOctadecanoic acid docosyl ester and hexanoic acid 1,1-dimethylethyl ester bonded the tetrahydrofolate-binding sites of PfSHMT, caused inhibition of DNA synthesis, and apoptosis, whereas trans-β-ocimene inhibited PfEMP-1, reversed the attachment of parasitized red blood cells to micro-vascular endothelium as their mechanism of action for parasitemia clearance. Moreover, these lead compounds reported for the first time in the dichloromethane and EtoAc fractions of this plant are responsible for the remarkable antiplasmodial activity observed in this study.","PeriodicalId":19019,"journal":{"name":"Natural Product Communications","volume":"412 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141778608","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Pharmacodynamic Materials and Mechanisms of Compound Scutellariae Radix Granules for Colorectal Cancer: A Network Pharmacology, Molecular Docking and Cell Experiments Study 复方黄芩颗粒治疗结直肠癌的药效学材料与机制:网络药理学、分子对接和细胞实验研究
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-23 DOI: 10.1177/1934578x241257828
Yadong Xing, Min Wu, Shijie Zhong, Hui Zhang, Aiping Zheng
Background: Compound Scutellariae Radix Granules (CSRG) are used to treat gastrointestinal diseases, including colorectal cancer (CRC), which is the second leading cause of cancer-related deaths. Studies have demonstrated that CSRG have anti-CRC effects; however, the exact molecular mechanisms remain unclear. Methods: This study used network pharmacology and molecular docking to identify the active ingredients in CSRG and assess CRC-related genes and pathways. After that, the effect of CSRG on HT29 cells was observed in vitro. Cell Counting Kit-8 detection, Western blot, and flow cytometry with AnnexinV-FITC/PI double staining experiments were used to observe the effects of CSRG on the proliferation, apoptosis and other effects of HT-29 cells. Moreover, the effects of CSRG and IGF-I (PI3K/AKT agonist) on HT-29 cell biological behaviors were gauged. Results: Naringenin, quercetin, licochalcone A, acacetin, wogonin, baicalein, kaempferol, and isorhamnetin were the key active ingredients in CSRG, which affect CRC through five genes: mitogen-activated protein kinase 3 and 1, tumor protein 53, signal transducer and activator of transcription 3, and RELA proto-oncogene, NF-kB subunit. The molecular docking experiments predicted the activity of the active ingredients in CSRG against their intended target, each of which could stably bind the corresponding CRC target. The enrichment analysis indicate that CSRG played a synergistic effect in regulating the process of apoptosis and cell proliferation, and that multiple pathways were participated in CSRG-related CRC treatment. Cell experiments results demonstrated that the PI3k–Akt pathway may be critical pathways. Besides, Tp53 was found tightly linked to apoptosis. Moreover, the suppressive effect of CSRG on HT29 cell malignant phenotypes was reversed by IGF-I. Conclusion: CSRG are an anti-colon cancer herb containing multiple components, involving multiple target genes and signaling pathways. CSRG inhibited colon cancer cell proliferation and induced apoptosis, which may be related to its inhibition of the PI3K/Akt pathway and activation of the Tp53 pathway.
背景:复方黄芩颗粒(CSRG)可用于治疗胃肠道疾病,包括结直肠癌(CRC)。研究表明,复方黄芩颗粒具有抗 CRC 的作用,但其确切的分子机制仍不清楚。研究方法本研究利用网络药理学和分子对接技术确定了南乳清中的活性成分,并评估了与 CRC 相关的基因和通路。然后,在体外观察 CSRG 对 HT29 细胞的影响。通过细胞计数试剂盒-8检测、Western印迹和流式细胞术与AnnexinV-FITC/PI双染实验,观察CSRG对HT-29细胞增殖、凋亡等作用的影响。此外,还检测了CSRG和IGF-I(PI3K/AKT激动剂)对HT-29细胞生物学行为的影响。结果柚皮苷、槲皮素、甘草查耳酮 A、醋酸苷、乌戈宁、黄芩苷、山柰醇和异鼠李素是 CSRG 的主要活性成分,它们通过五个基因影响 CRC:丝裂原活化蛋白激酶 3 和 1、肿瘤蛋白 53、信号转导和激活转录 3 以及 RELA 原癌基因、NF-kB 亚基。分子对接实验预测了 CSRG 中的活性成分对其目标靶点的活性,每种活性成分都能稳定地结合相应的 CRC 靶点。富集分析表明,CSRG在调控细胞凋亡和增殖过程中发挥了协同作用,多种通路参与了CSRG相关的CRC治疗。细胞实验结果表明,PI3k-Akt通路可能是关键通路。此外,还发现Tp53与细胞凋亡密切相关。此外,CSRG对HT29细胞恶性表型的抑制作用被IGF-I逆转。结论CSRG是一种含有多种成分的抗结肠癌草药,涉及多个靶基因和信号通路。CSRG能抑制结肠癌细胞增殖并诱导细胞凋亡,这可能与其抑制PI3K/Akt通路和激活Tp53通路有关。
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引用次数: 0
Hydroxytyrosol Ameliorates Busulfan-Induced Oligozoospermia in a Mouse Model 羟基酪醇可改善小鼠模型中丁胺磺酸诱发的少精子症
IF 1.8 4区 医学 Q4 CHEMISTRY, MEDICINAL Pub Date : 2024-07-23 DOI: 10.1177/1934578x241264632
Taowen Ye, Yumin Ma, Jin Dong, Yanli Dong, Jie Hui, Chengniu Wang, Yang Liu, Xiaorong Wang
ObjectiveHydroxytyrosol (HT), a polyphenolic component identified in olive oil and leaves, represents one of the most extensively investigated natural phenol due to its diverse beneficial biological properties. Recent studies have shown that HT exhibits protective effects on reproductive function and can improve sperm quality. However, the precise effect and underlying mechanism of HT on oligozoospermia remain unclear. This study aims to investigate the effect and mechanism of HT across varying concentrations on oligozoospermia.MethodsOligozoospermia was induced in ICR male mice via intraperitoneal injection of busulfan (BUS, 30 mg/kg). The mice were randomly categorized into five groups as Normal, BUS, HT 10 mg/kg, HT 30 mg/kg and HT 50 mg/kg. The efficacy of HT on oligozoospermia was assessed through sperm concentration and motility using a computer-assisted sperm analysis system. Testicular and epididymal histology was examined via hematoxylin-eosin staining, while cytoskeletal integrity was evaluated by immunofluorescence. Hormone levels, along with reactive oxygen species (ROS) and malondialdehyde (MDA) were examined by ELISA kits. Differentially expressed genes were identified through RNA sequencing, and the expression levels of key genes were validated by qPCR.ResultsThe results indicated that HT (50 mg/kg) significantly increased sperm concentration, promoted morphological recovery of testicular tissue, heightened the levels of serum testosterone, follicle-stimulating hormone, luteinizing hormone, as well as decreased the accumulation of ROS and MDA in mice with oligozoospermia. RNA sequencing analysis and RT-qPCR results revealed that HT could restore spermatogenesis and ameliorate oligozoospermia by up-regulating genes related to cilium organization, microtubule-based movement, and spermatid differentiation and development.ConclusionsHT demonstrates therapeutic efficacy against busulfan-induced oligozoospermia. The mechanism of HT on oligozoospermia may be related to its influence on cilium and microtubule-based movement, along with the differentiation and development of spermatids. HT shows potential as a prospective therapeutic intervention for the treatment of oligozoospermia.
目的羟基酪醇(HT)是在橄榄油和橄榄叶中发现的一种多酚成分,因其具有多种有益的生物特性而成为研究最广泛的天然酚之一。最近的研究表明,羟基酪醇对生殖功能有保护作用,并能提高精子质量。然而,HT 对少精症的确切影响和内在机制仍不清楚。本研究旨在探讨不同浓度的 HT 对少精子症的影响和机制。小鼠随机分为五组,分别为正常组、BUS组、HT 10 mg/kg组、HT 30 mg/kg组和HT 50 mg/kg组。使用计算机辅助精子分析系统,通过精子浓度和活力评估HT对少精症的疗效。睾丸和附睾组织学检查采用苏木精-伊红染色法,细胞骨架完整性则采用免疫荧光法进行评估。激素水平以及活性氧(ROS)和丙二醛(MDA)通过酶联免疫吸附试剂盒进行检测。结果表明,HT(50 毫克/千克)能显著提高少精症小鼠的精子浓度,促进睾丸组织的形态学恢复,提高血清睾酮、卵泡刺激素和黄体生成素的水平,减少 ROS 和 MDA 的积累。RNA测序分析和RT-qPCR结果显示,HT可通过上调纤毛组织、微管运动、精子分化和发育相关基因,恢复精子发生,改善少精症。HT对少精症的作用机制可能与它对纤毛和微管运动以及精子分化和发育的影响有关。HT有望成为治疗少精症的一种前瞻性治疗干预手段。
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Natural Product Communications
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