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Anthelminthic Activity of Piper nigrum, Albizia ferruginea, and Guarea cedrata Against Caenorhabditis elegans and Heligmosomoides polygyrus: In Vitro and In Silico Molecular Docking Approach. 黑椒、铁皮合欢和瓜蒌对秀丽隐杆线虫和多回线虫的驱虫活性:体外和硅分子对接方法。
IF 2.3 Q2 BIOLOGY Pub Date : 2025-12-02 eCollection Date: 2025-01-01 DOI: 10.1155/sci5/1600933
Noumedem Anangmo Christelle Nadia, Yamssi Cédric, Djam Chefor Alain, Ndongmo Donjio Corine Leader, Masoud Besati, Mahdi Yaghoobi, Wenjuan Liu, Ye Liu, Haibo Hu

Background: Gastrointestinal parasites, being members of the neglected tropical diseases (NTDs), infect over one billion individuals, about 24% of the global population. The aim of this study was to evaluate the deworming potential of Piper nigrum, Albizia ferruginea, and Guarea cedrata against Caenorhabditis elegans and Heligmosomoides polygyrus and to recommend their use in traditional medicine for the treatment of helminth infections.

Methods: The anthelmintic properties of the extracts were investigated in two nematode strains, Heligmosomoides polygyrus and Caenorhabditis elegans. The fresh coprocultured H. polygyrus L3 larvae and C. elegans L4 larvae bleached from adult worms were used to investigate the properties. Larval movement was monitored using a worm microtracker in a 96-well microplate to quantify the anthelmintic action of the extracts. The extracts were screened at varying concentrations, with distilled water being the negative control and albendazole being the positive control. Percent inhibition of larval motility was calculated. Molecular docking studies were also carried out using the Glide module of Schrodinger Maestro software, and the results ranked and distinguished based on the software's scoring function.

Results: The most active extract against H. polygyrus was the ethanolic extract of Piper nigrum (IC50:0.04 mg/mL) followed by the aqueous extract of Piper nigrum (IC50:0.08 mg/mL). Aqueous and ethanoic extracts of Piper nigrum were active against Caenorhabditis elegans L4 larvae with IC50s of 7.850 and 16.17 µg/mL, respectively, while aqueous extracts of Guarea cedrata and Albizia ferruginea were highly active with IC50s of 3.235 and 4.729 μg/mL, respectively. Leucokinin III, Leucokinin I, Leucokinin VIII, Leucokinin II, and Rebaudioside C from Albizia ferruginea are the most potent compounds against succinate dehydrogenase (SDH) and β-tubulin. Each of these constituents exhibited a more pronounced effect compared to the positive control, albendazole. Tricholein, isopiperolein B, pipercyclobutanamide, piperettine, and piperine from Piper nigrum are the most potent compounds against SDH and β-tubulin.

Conclusion: This study has demonstrated in vitro and in silico the effectiveness of Piper nigrum, Albizia ferruginea, and Guarea cedrata toward helminthiasis. To validate this scientific investigation, more research is required, particularly on the acute toxicity and in vivo anthelmintic efficacy.

背景:胃肠道寄生虫是被忽视的热带病(NTDs)的成员,感染超过10亿人,约占全球人口的24%。本研究的目的是评价黑椒、铁杉和瓜蒌对秀丽隐杆线虫和多回线虫的驱虫潜力,并推荐其在传统医学中治疗蠕虫感染的应用。方法:研究其提取物对多回线虫和秀丽隐杆线虫两种线虫的驱虫作用。以新鲜共培养的多回隐杆线虫L3幼虫和线虫L4幼虫为研究对象。在96孔微孔板上使用蠕虫微跟踪仪监测幼虫的运动,以量化提取物的驱虫作用。筛选不同浓度的提取物,以蒸馏水为阴性对照,阿苯达唑为阳性对照。计算幼虫运动抑制率。利用Schrodinger Maestro软件的Glide模块进行分子对接研究,并根据软件的评分功能对结果进行排序和区分。结果:红椒醇提物(IC50:0.04 mg/mL)对多回蛾的抑制作用最强,其次是红椒水提物(IC50:0.08 mg/mL)。黑椒水提物和乙醇提物对秀丽隐杆线虫L4幼虫的ic50值分别为7.850和16.17µg/mL,瓜地亚和铁藻水提物的ic50值分别为3.235和4.729 μg/mL。从铁杉中提取的白细胞分裂素III、白细胞分裂素I、白细胞分裂素VIII、白细胞分裂素II和雷鲍迪苷C是抗琥珀酸脱氢酶(SDH)和β-微管蛋白最有效的化合物。与阳性对照阿苯达唑相比,这些成分中的每一种都表现出更明显的效果。从胡椒中提取的三萜苷、异胡椒油酸B、胡椒环丁酰胺、胡椒碱和胡椒碱是抗SDH和β-微管蛋白最有效的化合物。结论:本研究证实了黑椒、铁皮合欢和瓜蒌对寄生虫病的体外和体内治疗作用。为了验证这一科学调查,需要进行更多的研究,特别是在急性毒性和体内驱虫剂功效方面。
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引用次数: 0
Ethnobotanical Analysis and Regional Comparison of Ethnoveterinary Practices in Southern Fars, Iran. 伊朗法尔斯南部民族植物学分析和民族兽医做法的区域比较。
IF 2.3 Q2 BIOLOGY Pub Date : 2025-11-30 eCollection Date: 2025-01-01 DOI: 10.1155/sci5/1812536
Saeideh Ghafouri, Roja Safaeian, Gholamabbas Ghanbarian, Thea Lautenschläger, Ehsan Ghafouri

This article analyzes the traditional ethnoveterinary knowledge of medicinal plants among the Bikheii, Korosh, and Achomi tribes in Fars, Iran. Ethnoveterinary data collected from 200 informants in 27 local communities were analyzed using the ethnobotanyR package. The analysis identified 31 plant species from 21 families used in ethnoveterinary practices. The most commonly used plant families were Rosaceae and Fabaceae. Ferula assa-foetida and Astragalus fasciculifolius had the highest use reports (URs) and were noted as having particular importance in the daily lives of tribal people in the south of Fars in Iran. A key focus of this study is a regional comparison with other documented ethnoveterinary practices, primarily within Iran, to identify conserved knowledge and novel findings. This study contributes to the conservation and sustainable use of traditional ethnoveterinary knowledge, which has previously been limited to herders and aged community members. The findings also provide a basis for future phytochemical and pharmacological studies to validate the efficacy of these medicinal plants for veterinary purposes.

本文分析了伊朗法尔斯Bikheii、Korosh和Achomi部落药用植物的传统民族兽医知识。使用ethnobotanyR软件包对从27个地方社区的200名告密者收集的民族兽医数据进行分析。分析确定了21科31种用于民族兽医实践的植物。最常用的植物科是蔷薇科和豆科。阿魏和黄芪的使用率最高,在伊朗法尔斯南部部落人民的日常生活中具有特别重要的意义。本研究的一个重点是与其他记录在案的民族兽医做法进行区域比较,主要是在伊朗境内,以确定保守的知识和新的发现。这项研究有助于保护和可持续利用传统的民族兽医知识,这些知识以前仅限于牧民和老年社区成员。该研究结果也为进一步的植物化学和药理学研究提供了基础,以验证这些药用植物的兽药功效。
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引用次数: 0
Screening Some Potential Potato Genotypes With an Efficient Photosynthetic System Based on Their Performance Under High Temperature and Irradiance. 基于高温辐照性能筛选具有高效光合系统潜力的马铃薯基因型。
IF 2.3 Q2 BIOLOGY Pub Date : 2025-11-29 eCollection Date: 2025-01-01 DOI: 10.1155/sci5/5511837
Muhammad Wasim Haider, Syed Mohsin Abbas, Muhammad Ahmad Saeed, Muhammad Tahir Akram, Tanveer Hussain, Muhammad Nafees, Umar Farooq, Mohammad Valipour, Alina-Stefania Stanciu, Abdulaziz A Alsahli, Muhammad Bilawal Junaid, Muhammad Waseem, Crossby Osei Tutu

Sustainable potato cultivation in hot, high-light regions such as Southern Punjab, Pakistan, requires identifying genotypes with efficient photosynthetic systems. High temperatures and irradiance often reduce productivity by triggering oxidative stress and limiting photosynthesis. This study evaluated growth, photosynthesis, yield, and biochemical responses in 15 advanced potato genotypes under such conditions. Genotype BD1310-1 showed greater performance with the highest plant height (51.5 cm), leaf area index (1.47), crop growth rate (0.43 g m-2 day-1), quantum yield of Photosystem II (ΦII; 0.75), and tuber yield (21.5 t ha-1), along with the lowest oxidative stress indicators. BD1319-2 had the highest number of stems plant-1 (5.3), BD1311-4 showed maximum photosynthetically active radiation absorption (430 μmol m-2 s-1), and BD1335-4 had the highest linear electron flow (209 μmol electrons m-2 s-1). Principal component analysis grouped traits into positively and negatively correlated clusters. Traits such as LAI, ΦII, crop growth rate, and tuber yield were positively associated with photosynthetic efficiency, whereas oxidative stress markers were negatively correlated. The findings suggest that oxidative markers reflect stress, not yield potential. In conclusion, BD1310-1, BD1319-2, BD1311-4, and BD1335-4 demonstrated potential as climate-resilient cultivars suitable for high-temperature (> 40°C) and high-irradiance (> 2000 μmol m-2 s-1) environments.

在炎热、光照充足的地区,如巴基斯坦的旁遮普南部,可持续的马铃薯种植需要鉴定具有高效光合系统的基因型。高温和强光常常通过引发氧化应激和限制光合作用而降低生产力。本研究评估了15个高级马铃薯基因型在这种条件下的生长、光合作用、产量和生化反应。BD1310-1基因型表现较好,株高最高(51.5 cm),叶面积指数最高(1.47),作物生长率最高(0.43 g m-2 day-1),光系统II量子产量最高(ΦII; 0.75),块茎产量最高(21.5 t ha-1),氧化胁迫指标最低。BD1319-2的茎数最高(5.3),BD1311-4的光合有效辐射吸收最高(430 μmol m-2 s-1), BD1335-4的线性电子流最高(209 μmol电子m-2 s-1)。主成分分析将性状分为正相关和负相关的类。LAI、ΦII、作物生长率、块茎产量等性状与光合效率呈正相关,而氧化胁迫指标与光合效率呈负相关。研究结果表明,氧化标记反映的是压力,而不是产量潜力。综上所述,BD1310-1、BD1319-2、BD1311-4和BD1335-4具有适应高温(40°C)和高辐照(2000 μmol m-2 s-1)环境的气候适应型栽培潜力。
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引用次数: 0
Recent Advances Review in Plant Extracts-Driven Green Synthesis of Binary-Metal Oxide Nanomaterials for Sustainable Nanotechnology. 植物提取物驱动的二元金属氧化物纳米材料绿色合成研究进展
IF 2.3 Q2 BIOLOGY Pub Date : 2025-11-28 eCollection Date: 2025-01-01 DOI: 10.1155/sci5/2888408
Nolubabalo Matinise

This review highlights recent advancements in the development of environmentally sustainable and reliable methods for the bio-fabrication of binary metal oxide nanomaterials through plant extract-mediated green methods, with a particular emphasis on Moringa oleifera. Known for its rich profile of bioactive compounds, including vitamins, flavonoids, and phenolic acids, it serves as a natural reducing, capping, and chelating agent, facilitating the formation of bimetallic oxide nanostructures (zinc cobalt, zinc iron, and zinc zirconate) through bio-fabrication processes. The plant-derived agents from M. oleifera enhance nanomaterial properties, including catalytic activity, stability, and surface area, making them highly suitable for diverse applications in environmental remediation, biomedicine, energy, and sensing technologies. The motivation for this strategy arises from the necessity for eco-friendly, cost-efficient, and scalable techniques that reduce toxicity and eliminate hazardous chemicals. The review elaborates on the mechanisms underlying the formation of bimetallic oxide nanostructures, specifically zinc cobalt (ZnCo2O4), zinc iron (ZnFe2O4), and zinc zirconate (ZnZrO3), through chemical reactions between salt precursors and bioactive compounds extracted from M. oleifera plant natural extract. It emphasizes the principles of green synthesis that align with sustainable nanotechnology, promoting reduced toxicity and cost-effectiveness. This approach addresses the increasing demand for eco-friendly synthetic pathways utilizing plants like M. oleifera, microorganisms, and other biological sources, thereby advancing green chemistry and enabling the development of nanomaterials with enhanced functionalities for practical applications.

本文综述了利用植物提取物介导的绿色方法制备环境可持续、可靠的二元金属氧化物纳米材料的最新进展,重点介绍了辣木。它以其丰富的生物活性化合物而闻名,包括维生素、类黄酮和酚酸,它是一种天然的还原剂、封盖剂和螯合剂,通过生物制造过程促进双金属氧化物纳米结构(钴锌、铁锌和锆酸锌)的形成。油橄榄植物源性制剂提高了纳米材料的性能,包括催化活性、稳定性和表面积,使其非常适合在环境修复、生物医学、能源和传感技术等领域的广泛应用。这一战略的动机源于需要生态友好、成本效益高、可扩展的技术,以减少毒性和消除危险化学品。本文综述了从油棕植物天然提取物中提取的盐前体与生物活性化合物发生化学反应,形成双金属氧化物纳米结构的机制,特别是锌钴(ZnCo2O4)、锌铁(ZnFe2O4)和锆酸锌(ZnZrO3)。它强调与可持续纳米技术相结合的绿色合成原则,促进降低毒性和成本效益。这种方法解决了对利用油橄榄、微生物和其他生物来源等植物的环保合成途径日益增长的需求,从而推动了绿色化学的发展,并使具有增强功能的纳米材料能够用于实际应用。
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引用次数: 0
Antiplasmodial Screening of Phikud Navakot Formulation and In Vivo Evaluation, Toxicity, and Phytochemical Profiling of the Potent Terminalia chebula Gall Aqueous Extract. 药膏配方的抗疟原虫筛选和有效的chebulalia Gall水提物的体内评价、毒性和植物化学分析。
IF 2.3 Q2 BIOLOGY Pub Date : 2025-11-28 eCollection Date: 2025-01-01 DOI: 10.1155/sci5/9598524
Arisara Phuwajaroanpong, Chuchard Punsawad, Prapaporn Chaniad, Atthaphon Konyanee, Abdi Wira Septama, Walaiporn Plirat

The growing resistance to first-line artemisinin-based therapies underscores the urgent need for novel antimalarial agents, with medicinal plants offering a promising source of candidates. Phikud Navakot formulation and its component plants are widely used in traditional medicine; however, their antimalarial properties remain underexplored. This study aimed to screen the Phikud Navakot formulation and its individual component plants for antiplasmodial activity and to further evaluate the most potent extract through in vivo efficacy testing, acute toxicity assessment, and phytochemical profiling. In vitro antiplasmodial activity was evaluated against a chloroquine-resistant Plasmodium falciparum K1 strain, and in vivo efficacy was assessed using the standard 4-day suppressive test in P. berghei ANKA-infected mice. Acute oral toxicity was examined in mice at a limit dose of 2000 mg/kg. Among all crude extracts tested, the aqueous gall extract of Terminalia chebula exhibited potent in vitro antiplasmodial activity (IC50 = 3.24 ± 0.83 μg/mL) without toxicity (CC50 > 100 μg/mL) in Vero cells or hemolytic effects. In the 4-day suppressive test, mice treated with 200, 400, and 600 mg/kg doses of the aqueous T. chebula gall extract showed significant, dose-dependent suppression of parasitemia (38.88%, 47.08% and 60.61%, respectively; p < 0.05). Furthermore, no signs of acute toxicity were observed at the 2000 mg/kg dose. Phytochemical profiling indicated that the aqueous T. chebula gall extract contains multiple bioactive compounds with potential medicinal properties. Overall, these findings demonstrate that the aqueous T. chebula gall extract possesses promising both in vitro and in vivo antimalarial activities, with an excellent safety profile. This provides scientific evidence supporting its potential as a plant-based candidate for antimalarial drug development. Further studies are warranted to isolate the active constituents, elucidate their mechanisms of action, and conduct subacute toxicity studies to extend the safety evaluation beyond the current findings.

对以青蒿素为基础的一线疗法日益增长的耐药性强调了迫切需要新的抗疟药物,药用植物提供了一个有希望的候选药物来源。菲库德纳瓦科特配方及其成分植物在传统医学中应用广泛;然而,它们的抗疟疾特性仍未得到充分探索。本研究旨在通过体内药效测试、急性毒性评估和植物化学分析来筛选菲库德纳瓦克制剂及其单个成分植物的抗疟原虫活性,并进一步评估最有效的提取物。体外对一株氯喹耐药恶性疟原虫K1株的抗疟原虫活性进行了评估,体内对伯氏疟原虫anka感染小鼠进行了标准的4天抑制试验。以2000mg /kg的极限剂量对小鼠进行急性口服毒性试验。在所有粗提物中,桔梗胆水提物具有较强的体外抗疟原虫活性(IC50 = 3.24±0.83 μg/mL),但对Vero细胞无毒性(CC50≤100 μg/mL)和溶血作用。在4 d的抑制实验中,200、400和600 mg/kg剂量的莪术水提物对小鼠寄生虫病的抑制作用显著且呈剂量依赖性(分别为38.88%、47.08%和60.61%,p < 0.05)。此外,在2000 mg/kg剂量下未观察到急性毒性迹象。植物化学分析表明,桔梗水提物含有多种具有潜在药用价值的生物活性化合物。综上所述,这些研究结果表明,白桦胆汁水提物具有良好的体内和体外抗疟活性,具有良好的安全性。这为支持其作为基于植物的抗疟疾药物开发候选药物的潜力提供了科学证据。进一步的研究需要分离活性成分,阐明其作用机制,并进行亚急性毒性研究,以扩大目前研究结果的安全性评估。
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引用次数: 0
Comprehensive Assessment of Local and Exotic Sorghum Genotypes for Forage Production and Quality Under Drought Conditions. 干旱条件下本地和外来高粱基因型对饲料生产和品质的综合评价。
IF 2.3 Q2 BIOLOGY Pub Date : 2025-11-28 eCollection Date: 2025-01-01 DOI: 10.1155/sci5/9158280
Zeba Ali, Amir Bibi, Rana Muhammad Atif, Muhammad Ashfaq Wahid

Sorghum (Sorghum bicolor L.), locally known as jowar, is a vital summer fodder crop in Pakistan, significantly contributing to livestock sustenance. However, drought stress poses a critical challenge by reducing plant biomass and elevating hydrogen cyanide (HCN) content, a toxic antiquality component that endangers livestock health. This study aimed to identify sorghum genotypes with improved fodder yield and reduced HCN content under drought stress. Seventy diverse genotypes were evaluated in a hydroponic system under three polyethylene glycol (PEG) levels (0%, 5%, and 10%) in a two-factor factorial experiment arranged in a completely randomized design (CRD). Analysis of variance (ANOVA) revealed highly significant (p < 0.05) genotype, treatment, and genotype × treatment interaction effects across all measured traits, indicating considerable genetic variability in drought responses. Drought stress significantly increased root length (RL) (3.2-13.2 cm) and decreased several morphological traits including shoot length (SL), shoot fresh and dry weights (SFW and SDW), and chlorophyll (23.4-42.8 μg cm-2) and fodder quality traits including crude protein (CP) (15.4%-24.1%) and crude fiber (CF). Principal component analysis (PCA) explained 72.4% of the total variance in the first three components, identifying SDW, SFW, RL, and SL as key contributors to drought tolerance. Correlation analysis revealed significant positive and negative correlations among the traits under all normal and drought conditions. Despite these reductions, genotypes such as Sorg-60, Sorg-66, and Sorg-7 showed superior performance in both biomass and quality traits, while Sorg-53 and Sorg-56 exhibited high sensitivity to drought. Based on PCA biplot positioning and trait performance, 20 genotypes (10 highly tolerant and 10 highly sensitive) were selected for field evaluation under normal and drought conditions using a randomized complete block design (RCBD). Morphological, physiological, and fodder quality traits showed comparatively low reduction under drought conditions in tolerant genotype compared to drought-sensitive genotypes. Statistical analyses supported the findings and highlighted promising genotypes for use in future sorghum breeding programs aimed at enhancing forage yield and nutritional safety under water-limited environments.

高粱(Sorghum bicolor L.)在当地被称为jowar,是巴基斯坦重要的夏季饲料作物,对牲畜的营养有重要贡献。然而,干旱胁迫通过减少植物生物量和提高氰化氢(HCN)含量(一种危害牲畜健康的有毒反质量成分)构成了严峻的挑战。本研究旨在鉴定干旱胁迫下提高饲料产量和降低HCN含量的高粱基因型。在完全随机设计(CRD)的双因素析因试验中,在三种聚乙二醇(PEG)水平(0%、5%和10%)的水培系统中评估了70种不同的基因型。方差分析(ANOVA)显示,基因型、处理以及基因型与处理之间的互作效应在所有测定性状中均具有极显著性(p < 0.05),表明干旱响应具有相当大的遗传变异性。干旱胁迫显著增加了根长(RL) (3.2 ~ 13.2 cm),降低了茎长(SL)、茎干鲜重(SFW和SDW)、叶绿素(23.4 ~ 42.8 μg cm-2)和粗蛋白质(CP)(15.4% ~ 24.1%)、粗纤维(CF)等饲料品质性状。主成分分析(PCA)解释了前3个分量的72.4%的总方差,确定了SDW、SFW、RL和SL是耐旱性的主要贡献因子。相关分析显示,在正常和干旱条件下,各性状之间存在显著的正相关和负相关。尽管有所减少,但基因型如高粱-60、高粱-66和高粱-7在生物量和品质性状上均表现优异,而高粱-53和高粱-56对干旱表现出较高的敏感性。采用随机完全块设计(RCBD),基于PCA双图定位和性状表现,选择20个基因型(10个高耐受性基因型和10个高敏感基因型),在正常和干旱条件下进行田间评价。在干旱条件下,耐旱基因型的形态、生理和饲料品质性状的下降幅度均低于干旱敏感基因型。统计分析支持了这一发现,并强调了未来高粱育种计划中有前景的基因型,旨在提高水分有限环境下的饲料产量和营养安全。
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引用次数: 0
Antidepressant-Like Effect of an Immediate-Release Formulation of Mallotus oppositifolius in Mice. 马来花速释制剂对小鼠的抗抑郁样作用。
IF 2.3 Q2 BIOLOGY Pub Date : 2025-11-27 eCollection Date: 2025-01-01 DOI: 10.1155/sci5/7695732
Zakaria Abdullah Ibrahim, Ofosua Adi-Dako, Kevin Kofi Adutwum-Ofosu, Patrick Amoateng, Frimpong Appiah, Awo Efua Koomson, Donatus Wewura Adongo, Awo Afi Kwapong, Kennedy Kwami Edem Kukuia

Background: Antidepressant-like effects of the crude extract of Mallotus oppositifolius (MOE) have been previously demonstrated. However, to overcome the limitations of crude extracts as medicines, we produced an immediate-release formulation of MOE (MOE-IR) and tested its efficacy.

Methods: Using the wet granulation method, MOE was formulated into immediate-release dosage forms (MOE-IR F1 and F2, 10, 30, 100 mg) and flow properties were assessed with bulk density, tapped density, Carr's index, Hausner's ratio, and the angle of repose. In vitro dissolution and antioxidant studies were conducted. Murine unpredictable chronic mild stress and sucrose preference tests (UCMS-SPTs) assessed the antidepressant-like effect. Except for the vehicle nonstressed (VEH-NS) group, mice were subjected to the UCMS for 7 weeks while receiving normal saline (VEH-S, 10 mL/kg; p.o.), MOE-IR (10, 30, and 100 mg/kg; p.o.), or fluoxetine (FLX 20 mg/kg; p.o.) daily for 5 weeks. The weight of mice and sucrose consumption (test for anhedonia) were monitored, after which forced swim test (FST), tail suspension test (TST), and open field test (OFT) were conducted following treatment termination. Plasma corticosterone concentration was assessed using ELISA, and brains were harvested for Golgi-Cox staining.

Results: MOE-IR F1 (10 mg) exhibited the most suitable formulation properties, and the highest release profile in all media, hence, was selected for the proof-of-concept antidepressant study and referred to as MOE-IR. MOE-IR and crude extract demonstrated in vitro antioxidant activity in the DPPH test. MOE-IR just as FLX reversed the stress-induced weight loss, anhedonia as well as decreased immobility time in the FST and TST without affecting locomotor activity. MOE-IR decreased the plasma corticosterone concentration and increased the dentate gyrus (DG) dendritic spine density.

Conclusion: Collectively, MOE-IR demonstrated antidepressant-like that may be associated with antioxidant effects, decreased plasma corticosterone levels, and increased DG dendritic spine density.

背景:Mallotus oppositifolius (MOE)粗提物的抗抑郁样作用已被证实。然而,为了克服粗提取物作为药物的局限性,我们制作了一种MOE的速释制剂(MOE- ir)并对其功效进行了测试。方法:采用湿造粒法,将MOE配制成速释剂型(MOE- ir F1、F2、10、30、100 mg),以堆积密度、疏通密度、卡尔指数、豪斯纳比、休止角等指标评价其流动特性。进行了体外溶出和抗氧化研究。小鼠不可预测的慢性轻度应激和蔗糖偏好测试(UCMS-SPTs)评估了抗抑郁样效果。除整车非应激(VEH-NS)组外,其余小鼠连续7周进行UCMS,同时每天给予生理盐水(VEH-S, 10 mL/kg; p.o)、MOE-IR(10、30、100 mg/kg; p.o)或氟西汀(FLX 20 mg/kg; p.o),连续5周。监测小鼠体重和糖消耗(快感缺乏试验),并在治疗结束后进行强迫游泳试验(FST)、悬尾试验(TST)和露天试验(OFT)。采用ELISA法测定血浆皮质酮浓度,采集脑组织进行高尔基-考克斯染色。结果:MOE-IR F1 (10 mg)表现出最合适的配方特性,在所有介质中释放曲线最高,因此被选择用于概念验证抗抑郁药研究,并称为MOE-IR。MOE-IR和粗提物在DPPH试验中显示出体外抗氧化活性。MOE-IR与FLX一样,逆转了应激引起的体重减轻、快感缺乏以及FST和TST中静止时间的减少,而不影响运动活动。MOE-IR降低血浆皮质酮浓度,增加齿状回(DG)树突棘密度。结论:总的来说,MOE-IR表现出抗抑郁样可能与抗氧化作用、血浆皮质酮水平降低和DG树突脊柱密度增加有关。
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引用次数: 0
Comparison of the Effects of Music Therapy and Aromatherapy on Physiological Indices in Surgical Patients: A Randomized Parallel-Group Trial. 音乐疗法和芳香疗法对外科病人生理指标影响的比较:一项随机平行组试验。
IF 2.3 Q2 BIOLOGY Pub Date : 2025-11-26 eCollection Date: 2025-01-01 DOI: 10.1155/sci5/6187659
Ziba Bolandi, Alireza Khatony, Mansour Rezaei, Mahbobeh Sajadi

Maintaining stable physiological indices is essential in postoperative ICU care, yet the effects of music therapy and aromatherapy on these indices remain limited and inconclusive. This study compared the effects of music therapy and 25% rosemary aromatherapy on ICU patients recovering from surgery. Ninety-two general surgery patients were randomly assigned to four groups: music therapy, aromatherapy, combined therapy (music and aromatherapy), or control. Data included demographic information and physiological indices. Music therapy involved 30 min of instrumental music; the aromatherapy group received 25% rosemary oil; the combination therapy group received both; the control group received a placebo aroma and turned off the headphones. Analysis with SPSS-18 showed that combination therapy and aromatherapy significantly reduced respiratory rate. Only the combination therapy group showed a notable increase in oxygen saturation. Aromatherapy also significantly decreased pulse rate, while neither music therapy nor control had significant effects on respiratory rate. No group showed significant changes in blood pressure. These noninvasive, cost-effective interventions are recommended for ICU care.

Trial registration: Iranian Registry of Clinical Trials (IRCT): IRCT20100913004736N27.

维持稳定的生理指标在术后ICU护理中至关重要,但音乐疗法和芳香疗法对这些指标的影响仍然有限且不确定。本研究比较了音乐疗法和25%迷迭香疗法对ICU患者术后康复的影响。92名普外科患者被随机分为四组:音乐疗法、芳香疗法、联合疗法(音乐和芳香疗法)或对照组。数据包括人口统计信息和生理指标。音乐治疗包括30分钟的器乐;香薰组给予25%的迷迭香油;联合治疗组双管齐下;对照组的人闻到了安慰剂的香味,并关掉了耳机。SPSS-18分析显示,联合治疗和芳香疗法显著降低呼吸频率。只有联合治疗组血氧饱和度明显升高。芳香疗法也能显著降低脉搏率,而音乐疗法和对照组对呼吸率都没有显著影响。没有组的血压有明显变化。这些无创、成本效益高的干预措施被推荐用于ICU护理。试验注册:伊朗临床试验注册中心(IRCT): IRCT20100913004736N27。
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引用次数: 0
Computational Landscape in Drug Discovery: From AI/ML Models to Translational Application. 药物发现中的计算景观:从AI/ML模型到转化应用。
IF 2.3 Q2 BIOLOGY Pub Date : 2025-11-24 eCollection Date: 2025-01-01 DOI: 10.1155/sci5/1688637
Deepak Sharma, Madhu Anabala, V Vanitha Jain, Mukul Shyam, Sabina Evan Prince, Rajiniraja Muniyan

The combination of artificial intelligence (AI) and machine learning (ML) in drug discovery has significantly transformed traditional pharmaceutical research by enabling data-driven decision-making, accelerating the identification of hits, and improving the efficiency of lead optimization. This review provides a comprehensive overview of AI/ML models, including supervised, unsupervised, semisupervised, deep learning, and reinforcement learning approaches and their applications across various stages of drug development, from target identification and virtual screening to de novo molecule design and ADME/T prediction. We highlight widely used ML algorithms, performance evaluation metrics, and AI-driven tools that have become instrumental in modern drug discovery pipelines. Despite rapid advancements, challenges such as limited data availability, heterogeneity, bias, lack of model interpretability, reproducibility concerns, clinical translational barriers, and regulatory uncertainties continue to hinder full-scale adoption. The review also discusses emerging trends, including explainable AI, federated learning, and integration with high-throughput experimental platforms, which offer promising directions for overcoming current limitations. Emphasis is placed on the importance of interdisciplinary collaboration to bridge computational predictions with experimental validation, ensuring robust, ethical, and clinically translatable AI applications in drug development.

人工智能(AI)和机器学习(ML)在药物发现中的结合,通过实现数据驱动的决策、加速命中的识别和提高先导物优化的效率,极大地改变了传统的药物研究。本文综述了人工智能/机器学习模型的全面概述,包括监督、无监督、半监督、深度学习和强化学习方法,以及它们在药物开发各个阶段的应用,从目标识别和虚拟筛选到从头分子设计和ADME/T预测。我们重点介绍了广泛使用的机器学习算法、性能评估指标和人工智能驱动的工具,这些工具已成为现代药物发现管道中的重要工具。尽管进展迅速,但数据可用性有限、异质性、偏倚、缺乏模型可解释性、可重复性问题、临床转化障碍和监管不确定性等挑战继续阻碍全面采用。该综述还讨论了新兴趋势,包括可解释的人工智能、联邦学习以及与高通量实验平台的集成,这些趋势为克服当前的限制提供了有希望的方向。重点放在跨学科合作的重要性,以连接计算预测与实验验证,确保在药物开发中稳健,道德和临床可翻译的人工智能应用。
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引用次数: 0
Potential of Ko-Klan Traditional Thai Remedy for Evaluation of Antioxidant and RT-PCR Anti-Inflammatory Activities. Ko-Klan传统泰方抗氧化和RT-PCR抗炎活性评价的潜力。
IF 2.3 Q2 BIOLOGY Pub Date : 2025-11-24 eCollection Date: 2025-01-01 DOI: 10.1155/sci5/4361994
Sutthichat Kerdphon, Pariya Atawong, Sukanya Reanpang, Phanupong Changtor, Nopawit Khamto, Gorawit Yusakul, Nitra Nuengchamnong, Kittisak Buddhachat, Jira Jongcharoenkamol

Ko-klan is a traditional Thai herbal medicine that is officially recognized for treating muscle pain; however, its mechanism of action has not been characterized. This study investigated the antioxidant and anti-inflammatory properties of three Ko-klan remedy formulations and identified potential bioactive markers using molecular docking. Ko-klan formulations were extracted using decoction, maceration, ultrasound-assisted extraction (UAE), and microwave-assisted extraction (MAE), with ethanol as the solvent. Phytochemical analyses were performed to determine the total phenolic content (TPC) and total flavonoid content (TFC), with antioxidant activity evaluated using the DPPH, ABTS, and FRAP assays. The anti-inflammatory effects were assessed by gene expression analysis (TNF-α, iNOS, COX-2, and IL-1β) and inhibition of nitric oxide production, and lipoxygenase (LOX) activity. LC-ESI-QTOF-MS/MS identified 175 compounds, with molecular docking performed against 5-LOX. Formulation-3 exhibited notable bioactivity, with a TPC of up to 1.08 g GAE/g and a TFC of 7.30 mg QE/g, and IC50 values of 51.8 μg/mL for DPPH and 92.3 μg/mL for ABTS assays, 7 to 10 fold than the Trolox standard. Anti-inflammatory activity showed comparable inhibition of nitric oxide production to the L-NAME standard and effective LOX inhibition at 62.7 μg/mL. The MAE-based Ko-klan remedy extract significantly suppressed LPS-induced inflammatory gene expression, comparable to dexamethasone. Molecular docking showed that caffeoyl quinic acid and brazilin were potent 5-LOX inhibitors with binding energies of -10.14 and -10.24 kcal/mol, respectively. Results demonstrate that Ko-klan remedies, particularly formulation-3, possessed significant antioxidant and anti-inflammatory activities, with phytochemical richness, effective suppression of inflammatory mediators, and potential bioactive markers such as caffeoyl quinic acid and brazilin, thereby supporting their traditional use and providing a scientific basis for further therapeutic development.

Ko-klan是一种传统的泰国草药,被官方认可用于治疗肌肉疼痛;然而,其作用机制尚未明确。本研究研究了三种Ko-klan药物配方的抗氧化和抗炎特性,并利用分子对接方法鉴定了潜在的生物活性标记物。以乙醇为溶剂,采用煎煮、浸渍、超声辅助提取(UAE)和微波辅助提取(MAE)的方法提取Ko-klan配方。植物化学分析测定了总酚含量(TPC)和总黄酮含量(TFC),并利用DPPH、ABTS和FRAP测定了抗氧化活性。通过基因表达分析(TNF-α、iNOS、COX-2和IL-1β)、抑制一氧化氮生成和脂氧合酶(LOX)活性来评估抗炎作用。LC-ESI-QTOF-MS/MS鉴定了175个化合物,并与5-LOX进行了分子对接。制剂-3具有显著的生物活性,TPC为1.08 g GAE/g, TFC为7.30 mg QE/g, DPPH IC50值为51.8 μg/mL, ABTS IC50值为92.3 μg/mL,是Trolox标准品的7 ~ 10倍。抗炎活性显示与L-NAME标准相当的一氧化氮产生抑制作用和62.7 μg/mL的有效LOX抑制作用。以mae为基础的Ko-klan补救提取物显著抑制lps诱导的炎症基因表达,与地塞米松相当。分子对接表明,咖啡酰奎宁酸和巴西林是有效的5-LOX抑制剂,结合能分别为-10.14和-10.24 kcal/mol。结果表明,Ko-klan制剂,特别是配方-3,具有显著的抗氧化和抗炎活性,具有丰富的植物化学物质,有效抑制炎症介质,并具有潜在的生物活性标记,如咖啡酰奎宁酸和巴西林,从而支持其传统用途,并为进一步的治疗开发提供科学依据。
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引用次数: 0
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