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Chicoric acid prevents motor dysfunction in zebrafish Parkinson's disease model through Nrf2-mediated antioxidant effect. 菊酸通过nrf2介导的抗氧化作用预防斑马鱼帕金森病模型的运动功能障碍。
IF 3.4 2区 医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE Pub Date : 2026-01-27 DOI: 10.1186/s12906-026-05271-z
Xiaohan Zhang, Mingyue Li, Huilin Zhang, Xin Che, Guirong Zhang, Bing Han

Background: Chicoric acid (CA) has been used as a nutritional supplement, health food, and medicine because of its antioxidant property. This study aimed to investigate whether CA can prevent motor dysfunction in a zebrafish model of Parkinson's disease (PD).

Methods: AB-strain zebrafish (24 hours post-fertilization) were incubated with 25 µM 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) with or without CA for 5 days. The levels of malondialdehyde, glutathione, reactive oxygen species and the activities of antioxidant enzymes in brain tissue were measured. Additionally, the expression of molecules from the nuclear factor erythroid 2-related factor 2 (Nrf2) signaling pathway were assayed by Western blot.

Results: Compared with the control group, zebrafish in the MPTP group had impaired motor function. Treatment with CA prevented the changes of the total distance, the mean speed, and attenuated dopaminergic neuronal degeneration in the PD zebrafish model. CA also reduced the levels of malondialdehyde, reactive oxygen species and increased the antioxidant enzymes and glutathione level. Furthermore, CA augmented the expression of Nrf2, NQO1, HO-1, GCLC, and GCLM in the brain of the PD zebrafish model.

Conclusion: Our findings suggest the protective effects of CA may be associated with regulating the antioxidant system, possibly involving the Nrf2 signaling pathway.

背景:由于其抗氧化性能,菊苣酸(CA)已被用作营养补充剂、保健食品和药物。本研究旨在探讨CA是否可以预防斑马鱼帕金森病(PD)模型的运动功能障碍。方法:用25µM 1-甲基-4-苯基-1,2,3,6-四氢吡啶(MPTP)加或不加CA孵育ab -株斑马鱼(受精后24小时)5 d。测定脑组织丙二醛、谷胱甘肽、活性氧含量及抗氧化酶活性。Western blot检测核因子-红细胞2相关因子2 (Nrf2)信号通路分子的表达。结果:与对照组相比,MPTP组的斑马鱼运动功能受损。CA能阻止斑马鱼PD模型的总距离、平均速度的改变,并减轻多巴胺能神经元的变性。CA还降低了丙二醛、活性氧水平,提高了抗氧化酶和谷胱甘肽水平。此外,CA增强了PD斑马鱼模型脑内Nrf2、NQO1、HO-1、GCLC和GCLM的表达。结论:CA的保护作用可能与调节抗氧化系统有关,可能与Nrf2信号通路有关。
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引用次数: 0
Efficacy of Ayurveda interventions (Pushkar Guggulu and Haritaki) as an adjunct to standard care in stable coronary artery disease: study protocol for a double-blind, randomized controlled study. 阿育吠陀干预(Pushkar Guggulu和Haritaki)作为稳定冠状动脉疾病标准治疗的辅助治疗效果:一项双盲、随机对照研究的研究方案
IF 3.4 2区 医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE Pub Date : 2026-01-24 DOI: 10.1186/s12906-025-05204-2
Sakshi Sharma, Anunay Gupta, Amit K Rai, Puneet Gupta, Bharti Gupta, Bhagwan S Sharma, Rakesh K Rana, Bhogavalli Chandrasekhararao, Narayanam Srikanth, Rabinarayan Acharya

Background: Coronary artery disease (CAD) is a substantial contributor to cardiovascular-related morbidity and mortality worldwide. Contemporary medications for CAD management need to be administered for longer periods with limited success. In addition, these medications have limitations owing to their adverse effects on long-term use. Therefore, it is imperative to identify safe, effective, and economical therapeutic options to lower the risk of CAD-related morbidity, mortality, and recurrence. This protocol was developed to assess the clinical efficacy and safety of Ayurveda interventions, Pushkar Guggulu and Haritaki, as an adjunct to standard care in individuals diagnosed with stable CAD compared with standard care alone.

Methods: This randomized controlled trial (RCT) employs a double-blind, randomized controlled design and will be conducted at the Department of Cardiology, Safdarjung Hospital, New Delhi, India. A total of 100 individuals of any gender aged 40-70 years and diagnosed with stable CAD will be enrolled in the study. The participants will be randomly assigned in a 1:1 ratio to receive either Ayurveda interventions (Pushkar Guggulu capsules 1 gram, and Haritaki capsules 500 mg twice daily after meals) or the matching placebo of both the aforementioned Ayurveda interventions for 180 days. The conventional standard care per the current American College of Cardiology/American Heart Association guidelines for CAD management will be provided in both groups. The primary outcome is the change in the Seattle Angina Questionnaire (SAQ) score from baseline. The secondary outcome measures include the change in the grade of the Canadian Cardiovascular Society grading scale of angina pectoris; the change in the grade of the exercise stress test from baseline; the change in lipid profile, IL-6, and serum pro-BNP levels from baseline; the change in the need for standard care medications for CAD from baseline; and the change in health-related QoL (assessed by the SF-12 questionnaire). Safety will be evaluated by recording the incidence of adverse events and changes in laboratory safety parameters (CBC, LFT, KFT) from baseline.

Discussion: The outcomes of this RCT can be utilized to develop a strategy to integrate Ayurveda interventions with conventional standard management to achieve a better prognosis in CAD patients.

Trial registration: The study is prospectively registered with the Clinical Trial Registry of India (CTRI/2024/02/062553 dated February 12, 2024).

背景:冠状动脉疾病(CAD)是世界范围内心血管相关发病率和死亡率的重要因素。当代治疗CAD的药物需要较长时间的使用,但效果有限。此外,这些药物由于其长期使用的不利影响而具有局限性。因此,必须确定安全、有效和经济的治疗方案,以降低cad相关发病率、死亡率和复发的风险。该方案的制定是为了评估阿育吠陀干预措施、Pushkar Guggulu和Haritaki作为标准治疗对诊断为稳定型CAD的个体的临床疗效和安全性,并与单独标准治疗进行比较。方法:本随机对照试验(RCT)采用双盲、随机对照设计,将在印度新德里Safdarjung医院心内科进行。共有100名年龄在40-70岁、诊断为稳定型CAD的任何性别的个体将被纳入研究。参与者将以1:1的比例随机分配,接受阿育吠陀干预(Pushkar Guggulu胶囊1克,Haritaki胶囊500毫克,每天两次,饭后)或上述两种阿育吠陀干预的安慰剂,持续180天。根据目前美国心脏病学会/美国心脏协会CAD管理指南的传统标准护理将在两组中提供。主要结果是西雅图心绞痛问卷(SAQ)评分从基线的变化。次要结局指标包括加拿大心血管学会心绞痛分级量表的分级变化;运动应激试验评分与基线的变化;血脂、白细胞介素-6和血清bnp前蛋白水平与基线相比的变化;CAD标准治疗药物需求的变化;健康相关生活质量的变化(用SF-12问卷评估)。安全性将通过记录不良事件的发生率和实验室安全参数(CBC、LFT、KFT)从基线开始的变化来评估。讨论:本随机对照试验的结果可用于制定策略,将阿育吠陀干预与常规标准管理相结合,以实现CAD患者更好的预后。试验注册:该研究已在印度临床试验注册中心(CTRI/2024/02/062553,日期为2024年2月12日)前瞻性注册。
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引用次数: 0
Ethnopharmacological assessment of plants used in elephantiasis treatment: a study on Elephantorrhiza. elephantina, Pentanisia prunelloides, and Dioscorea sylvatica. 治疗象皮病植物的民族药理学评价:象根的研究。象皮草,五香草和山药。
IF 3.4 2区 医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE Pub Date : 2026-01-23 DOI: 10.1186/s12906-026-05260-2
Selloane G Lehasa, Pheello J Mojau, Rialet Pieters, Oriel M M Thekisoe, Suranie Horn, Siphamandla Q N Lamula, Elizabeth B Aladejana, Lisa V Buwa-Komoreng
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引用次数: 0
In vitro antipromastigote activity of decoction and hydrodistillation extracts of Clematis hirsuta leaves against Leishmania donovani and Leishmania aethiopica. 毛缕铁线莲叶煎液和水蒸馏液对多诺利什曼原虫和埃塞俄比亚利什曼原虫的体外抗虫活性研究。
IF 3.4 2区 医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE Pub Date : 2026-01-22 DOI: 10.1186/s12906-026-05251-3
Etsegenet Abebe, Tegenu Gelana, Helen Nigussie, Abebe Ejigu, Yehenew Asmamaw, Dawit Araya, Werissaw Hailesilassie, Markos Tadele, Betelhem Sirak, Solomon Mequanente, Gurja Belay
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引用次数: 0
Perceived impact of medicinal cannabis on pelvic pain and endometriosis related symptoms in Aotearoa New Zealand: an observational cohort study. 药用大麻对新西兰奥特罗阿盆腔疼痛和子宫内膜异位症相关症状的感知影响:一项观察性队列研究
IF 3.4 2区 医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE Pub Date : 2026-01-22 DOI: 10.1186/s12906-025-05189-y
Claire Henry, Lily Cooper, Hannah Adler, Justin Sinclair, Alexander Martin, Alex Semprini, Antonina Mikocka-Walus, Mike Armour
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引用次数: 0
Dose-dependent antiviral effects of glycyrrhizin, curcumin, and harmaline against clinical SARS-CoV-2 isolates, including D614G, Omicron BA.5, and Omicron XBB.1. 甘草酸、姜黄素和毒芹碱对临床SARS-CoV-2分离株(包括D614G、Omicron BA.5和Omicron XBB.1)的剂量依赖性抗病毒作用
IF 3.4 2区 医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE Pub Date : 2026-01-22 DOI: 10.1186/s12906-026-05253-1
Rabea Grüneberg, Isabel Zydek, Carina Elsner, Evelyn Scheiermann, Ulf Dittmer, Folker Meyer, Ivana Kraiselburd, Hana Rohn, Oliver Witzke, Laura Thümmler, Adalbert Krawczyk

Background: SARS-CoV-2 remains a major global health challenge, as infection can lead to potential life-threatening conditions such as COVID-19. Emerging variants of the virus are characterized by higher transmission rates and immune escape mutations, enabling them to evade vaccine-induced immunity. Existing treatment options, including monoclonal antibodies, are often variant-specific and not widely accessible, especially in low- and middle-income countries. Natural compounds derived from medicinal herbs and green tea have demonstrated antiviral activity against various viruses and may offer promising, variant-independent therapeutic potential.

Methods: In this study, we examined the antiviral activity of four plant-derived compounds: glycyrrhizin, curcumin, harmaline, and (-)-epigallocatechin. The compounds were tested in vitro against SARS-CoV-2 D614G, Omicron BA.5, and Omicron XBB.1. The antiviral efficacy was assessed at subtoxic concentrations to evaluate potential therapeutic applicability.

Results: All tested compounds showed effective neutralization of SARS-CoV-2 D614G, Omicron BA.5, and Omicron XBB.1 at subtoxic concentrations. In particular, glycyrrhizin, curcumin, and harmaline exhibited potent antiviral activity across all tested variants.

Conclusions: Our findings support the potential of glycyrrhizin, curcumin, and harmaline as variant-independent treatment candidates for COVID-19. However, further clinical studies are necessary to validate their efficacy and safety in vivo.

背景:SARS-CoV-2仍然是一项重大的全球卫生挑战,因为感染可导致潜在的危及生命的疾病,如COVID-19。新出现的病毒变体具有较高的传播率和免疫逃逸突变的特点,使它们能够逃避疫苗诱导的免疫。现有的治疗方案,包括单克隆抗体,往往是变异特异性的,不能广泛获得,特别是在低收入和中等收入国家。从草药和绿茶中提取的天然化合物已显示出对多种病毒的抗病毒活性,并可能提供有希望的、不受变异影响的治疗潜力。方法:在本研究中,我们检测了四种植物源化合物的抗病毒活性:甘草酸、姜黄素、烟碱和(-)-表没食子儿茶素。对化合物进行了体外抗SARS-CoV-2 D614G、Omicron BA.5和Omicron XBB.1的试验。在亚毒性浓度下评估抗病毒效果,以评估潜在的治疗适用性。结果:所有化合物均能在亚毒性浓度下有效中和SARS-CoV-2 D614G、Omicron BA.5和Omicron XBB.1。特别是,甘草酸、姜黄素和毒蜂碱在所有测试的变体中都表现出有效的抗病毒活性。结论:我们的研究结果支持甘草酸、姜黄素和蜂碱作为COVID-19非变异治疗候选药物的潜力。然而,需要进一步的临床研究来验证其在体内的有效性和安全性。
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引用次数: 0
Implications of notoginsenoside R1 in osteoclastogenesis and bone remodeling via nitric oxide modulation. 三七皂苷R1通过一氧化氮调节在破骨细胞发生和骨重塑中的意义。
IF 3.4 2区 医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE Pub Date : 2026-01-22 DOI: 10.1186/s12906-026-05264-y
Jia-Feng Chen, Chih-Chieh Chen, Wan-Ling Lin, Tun-Pin Hsueh

Background: Bone remodeling depends on the balance between osteoblast-mediated formation and osteoclast-mediated resorption, with disruption contributing to osteoporosis and other osteolytic diseases. Nitric oxide (NO) serves as a critical regulator of skeletal homeostasis and inflammatory signaling. Panax notoginseng, traditionally used in bone trauma, contains notoginsenoside R1 (NGR1) as a principal bioactive component. However, the mechanisms by which NGR1 modulates osteoclastogenesis remain unclear.

Methods: A network pharmacology approach was employed to predict NGR1 targets and their intersection with NO regulation and osteoclastogenesis. Protein-protein interaction (PPI) analysis, GO/KEGG enrichment, and molecular docking were conducted to identify hub genes and pathways. Experimental validation was performed using CD14⁺ monocytes differentiated into osteoclasts under RANKL and M-CSF stimulation. TRAP staining, cathepsin K expression, and NO production assays were used to assess osteoclast formation, functionality, and signaling modulation.

Results: Network analysis identified 79 overlapping targets between NGR1, NO regulation, and osteoporosis, highlighting hub genes involved in inflammatory signaling (IL-1β, IL-6, TNF, PTGS2), apoptosis (AKT1, CASP3, BCL2, ESR1), and signal transduction (STAT3, MAPK3). Docking studies indicated strong binding potential of NGR1 to AKT1, PTGS2, MAPK3, and CASP3. Experimentally, NGR1 inhibited osteoclastogenesis in a dose-dependent manner, with significant suppression at ≥ 50 μM. NGR1 and the NO scavenger PTIO showed comparable inhibitory effects, in contrast to the pro-osteoclastogenic effects of the NO donor SNP. NGR1 treatment also reduced NO production and impaired osteoclast function, as demonstrated by decreased TRAP and cathepsin K expression.

Conclusion: This study provides the first comprehensive evidence that NGR1 acts as a multi-target regulator of osteoclastogenesis through NO-dependent mechanisms. By integrating the suppression of NO levels with predicted modulation of inflammatory, apoptotic, and signal transduction pathways, NGR1 suppresses osteoclast differentiation and function. These findings advance the molecular understanding of Panax notoginseng in bone health and support NGR1 as a promising therapeutic candidate for pathological bone loss, warranting further in vivo and translational investigation.

背景:骨重塑依赖于成骨细胞介导的骨形成和破骨细胞介导的骨吸收之间的平衡,这种平衡的破坏会导致骨质疏松和其他溶骨性疾病。一氧化氮(NO)是骨骼稳态和炎症信号的关键调节因子。三七,传统上用于骨创伤,含有三七皂苷R1 (NGR1)作为主要的生物活性成分。然而,NGR1调节破骨细胞发生的机制尚不清楚。方法:采用网络药理学方法预测NGR1靶点及其与NO调控和破骨细胞发生的交叉关系。通过蛋白-蛋白相互作用(PPI)分析、GO/KEGG富集和分子对接等方法鉴定中心基因和途径。实验验证采用CD14 +单核细胞在RANKL和M-CSF刺激下分化成破骨细胞。TRAP染色、组织蛋白酶K表达和NO生成测定用于评估破骨细胞的形成、功能和信号调节。结果:网络分析确定了NGR1、NO调节和骨质疏松症之间的79个重叠靶点,突出了涉及炎症信号(IL-1β、IL-6、TNF、PTGS2)、细胞凋亡(AKT1、CASP3、BCL2、ESR1)和信号转导(STAT3、MAPK3)的枢纽基因。对接研究表明,NGR1与AKT1、PTGS2、MAPK3和CASP3具有很强的结合潜力。实验结果表明,NGR1对破骨细胞的抑制呈剂量依赖性,在≥50 μM时具有明显的抑制作用。NGR1和NO清除剂PTIO表现出相当的抑制作用,与NO供体SNP的促破骨作用形成对比。通过降低TRAP和组织蛋白酶K的表达,NGR1治疗也降低了NO的产生和破骨细胞的功能。结论:本研究首次提供了全面证据,证明NGR1通过no依赖机制作为破骨细胞形成的多靶点调节剂。通过将NO水平的抑制与炎症、凋亡和信号转导通路的预测调节结合起来,NGR1抑制破骨细胞的分化和功能。这些发现促进了对三七骨健康的分子认识,并支持NGR1作为病理性骨质流失的有希望的治疗候选者,值得进一步的体内和转化研究。
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引用次数: 0
Laser acupuncture improves cortical excitability and behavioural performance in healthy individuals: a randomized controlled trial. 激光针刺改善健康个体的皮质兴奋性和行为表现:一项随机对照试验。
IF 3.4 2区 医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE Pub Date : 2026-01-21 DOI: 10.1186/s12906-026-05259-9
Renming Liu, Zhen Zheng, Aung Aung Kywe Moe, Maryam Zoghi, Shapour Jaberzadeh

Background: Laser acupuncture (LA) represents a promising non-invasive neuromodulation technique, yet its therapeutic potential and neurophysiological mechanisms remain largely unexplored compared to traditional needle acupuncture.

Objective: To investigate the effects of LA at different motor-related acupoints on corticospinal excitability (CSE) and behavioural performance.

Methods: A single-blinded, randomized, sham-controlled crossover study was conducted with 18 healthy adults. Each participant completed four sessions (LA at LI4, LI10, LI11, and sham) in randomized order. Primary outcomes included cortical excitability measures via transcranial magnetic stimulation. Secondary outcomes assessed behavioural performance using Purdue Pegboard test and Choice Reaction Time tasks via PsyToolkit. The impact of participant-related factors on outcomes was evaluated.

Results: All active LA conditions significantly improved CSE compared to pre-intervention (p < 0.01), with reduced intracortical inhibition and increased facilitation. LI4 and LI10 demonstrated superior CSE modulation versus sham (p < 0.01), while LI11 showed no significant difference. LI4 additionally improved reaction time performance (p < 0.05), and LI10 exhibited significant immediate post-intervention effects within the session. Higher participant expectancy correlated with greater CSE enhancement (p < 0.05).

Conclusions: LA at LI4 and LI10 could enhance CSE and behavioural performance, potentially through GABAergic and glutamatergic pathways, as suggested by changes in intracortical excitability. These findings support LA as a non-invasive neuromodulation technique and highlight the importance of acupoint specificity and expectancy effects in cortical excitability outcomes.

Clinical trials registration: Australian New Zealand Clinical Trials Registry: ACTRN12625000337471.

背景:激光针灸(LA)是一种很有前途的非侵入性神经调节技术,但与传统针刺相比,其治疗潜力和神经生理机制仍未得到充分研究。目的:探讨不同运动相关穴位LA对皮质脊髓兴奋性(CSE)和行为表现的影响。方法:对18名健康成人进行单盲、随机、假对照交叉研究。每个参与者按随机顺序完成四个疗程(LI4、LI10、LI11和sham)。主要结果包括通过经颅磁刺激测量皮质兴奋性。次要结果评估行为表现使用普渡钉板测试和选择反应时间任务通过PsyToolkit。评估参与者相关因素对结果的影响。结果:与干预前相比,所有活跃的LA条件都显著改善了CSE (p)。结论:LI4和LI10的LA可能通过gaba能和谷氨酸能途径增强CSE和行为表现,正如皮质内兴奋性的变化所表明的那样。这些发现支持LA作为一种非侵入性神经调节技术,并强调了穴位特异性和预期效应在皮质兴奋性结果中的重要性。临床试验注册:澳大利亚新西兰临床试验注册:ACTRN12625000337471。
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引用次数: 0
Biomechanical effects of the prone stretching and adjusting cervical manipulation : a three-dimensional finite element analysis study. 俯卧伸展和调节颈椎手法的生物力学效应:三维有限元分析研究。
IF 3.4 2区 医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE Pub Date : 2026-01-21 DOI: 10.1186/s12906-026-05258-w
Xiang-Ming Lin, Rui Hong, Chao Yang, Shi-Nian Zhang, Hua Ye, Ying Li

Background: The "prone stretching and adjusting cervical manipulation", known for its therapeutic benefits in treating cervical spondylotic radiculopathy (CSR), has demonstrated notable clinical success. However, understanding its mechanism of action remains an underexplored area. This study aimed to elucidate the biomechanical impact of this technique on the cervical spine using three-dimensional finite element analysis.

Methods: Leveraging detailed CT scan data from a healthy adult female, we constructed a comprehensive three-dimensional finite element model encompassing the seven cervical vertebrae and five intervertebral discs. The model was validated by comparing its predicted segmental range of motion with experimental data from the literature under flexion, extension, lateral bending, and axial rotation. We simulated the manipulation process on this model, applying relevant mechanical parameters, and measured the stresses and foraminal areas across the cervical vertebrae and discs before and after the simulated manipulation.

Results: Post-simulation analysis revealed a marked reduction in overall stress within the cervical spine's vertebral bodies, with the maximum stress dropping from 123.31 MPa to 29.637 MPa. Similarly, the intervertebral discs exhibited a substantial decrease in overall stress, plummeting from 36.859 MPa to 8.4136 MPa. Additionally, the intervertebral foramen area on the contralateral side to the manipulation expanded, with the most substantial increase reaching 0.75 mm².

Conclusion: These findings suggest that the"prone stretching and adjusting cervical manipulation"may biomechanically reduce stress on the vertebral bodies and intervertebral discs while expanding the intervertebral foraminal area, providing a biomechanical basis for the symptomatic relief in CSR.

Trial registration: The study was approved by the Ethics Committee of Gannan Medical University, China (no.2019806). (Clinical trial number: not applicable).

背景:“俯卧位拉伸和调节颈椎手法”以其治疗神经根型颈椎病(CSR)的疗效而闻名,已取得显著的临床成功。然而,了解其作用机制仍然是一个未充分探索的领域。本研究旨在通过三维有限元分析阐明该技术对颈椎的生物力学影响。方法:利用健康成年女性的详细CT扫描数据,我们构建了包含7块颈椎和5块椎间盘的综合三维有限元模型。通过将模型预测的节段运动范围与文献中在屈曲、伸展、侧向弯曲和轴向旋转下的实验数据进行比较,验证了模型的有效性。我们在该模型上模拟手法过程,应用相关力学参数,测量模拟手法前后横跨颈椎和椎间盘的应力和椎间孔面积。结果:模拟后分析显示,颈椎椎体内的整体应力明显减小,最大应力从123.31 MPa降至29.637 MPa。同样,椎间盘的总应力也大幅下降,从36.859 MPa骤降至8.4136 MPa。此外,手法对侧椎间孔面积扩大,最大增幅达到0.75 mm²。结论:“俯卧拉伸调颈手法”可从生物力学角度减轻椎体和椎间盘的应力,同时扩大椎间孔面积,为缓解CSR症状提供生物力学依据。试验注册:经中国甘南医科大学伦理委员会批准(no.2019806)。(临床试验编号:不适用)。
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引用次数: 0
Chemical constituents of Rhazya stricta as potential Aurora kinase A inhibitors for targeting HER2-negative breast cancer: an integrated in-silico and in-vitro study. Rhazya stricta的化学成分作为潜在的Aurora激酶A抑制剂靶向her2阴性乳腺癌:一项集成的硅和体外研究
IF 3.4 2区 医学 Q1 INTEGRATIVE & COMPLEMENTARY MEDICINE Pub Date : 2026-01-21 DOI: 10.1186/s12906-025-05218-w
Ikhlas Yusaf, Nirmal Malik, Abrar Ahmed, Hamid Saeed

Human Epidermal Growth Factor Receptor 2 (HER2) negative breast cancer is a type of breast cancer that does not overexpress the HER2 protein. In some breast cancers, overexpression of HER2 makes the cancer more aggressive. Computational-aided drug discovery (CADD) was taken as an efficient alternative to conventional methods of drug design and development. This study has also been carried out using the same drug design and development methods from Rhazya stricta; whose extracts are traditionally approved to possess anti-cancer activity while choosing Aurora Kinase A (AURKA) as our target of interest. Phytochemicals present in Rhazya stricta were found from already published literature, to be tested as potential AURKA inhibitors through molecular docking, Prime MM-GBSA, and Molecular Dynamic (MD) simulations to know about the binding energies and fluctuating stability of ligands with protein. Five out of twenty-seven screened compounds showed stable complexes and remarkable binding scores ranging between - 6.569 kcal/Mol to -5.371 kcal/Mol with the target protein so can be investigated as potential lead compounds to treat HER2-negative breast cancer. The in-silico techniques employed successfully identified phytochemicals with potent human AURKA inhibitory properties. Compounds (6), (8), (5), (4), (1) as AURKA inhibitors have the potential to block AURKA by targeting p53 tumor-suppressing protein to prevent the further development of tumors. The MTT assay was performed to confirm the cell viability, cell inhibition, and cytotoxicity of the phytochemicals present in the plant extract.

人表皮生长因子受体2 (HER2)阴性乳腺癌是一种不过度表达HER2蛋白的乳腺癌。在一些乳腺癌中,HER2的过度表达使癌症更具侵袭性。计算辅助药物发现(CADD)被认为是替代传统药物设计和开发方法的一种有效方法。这项研究也使用了与Rhazya stricta相同的药物设计和开发方法;其提取物传统上被批准具有抗癌活性,同时选择极光激酶A (AURKA)作为我们感兴趣的目标。从已经发表的文献中发现了Rhazya stricta中的植物化学物质,通过分子对接,Prime MM-GBSA和分子动力学(MD)模拟来测试潜在的AURKA抑制剂,以了解配体与蛋白质的结合能和波动稳定性。筛选的27种化合物中有5种与靶蛋白表现出稳定的复合物,结合分数在- 6.569 kcal/Mol至-5.371 kcal/Mol之间,因此可以作为治疗her2阴性乳腺癌的潜在先导化合物进行研究。采用的硅技术成功地鉴定了具有强效人类AURKA抑制特性的植物化学物质。化合物(6)、(8)、(5)、(4)、(1)作为AURKA抑制剂,有可能通过靶向p53肿瘤抑制蛋白阻断AURKA,阻止肿瘤的进一步发展。MTT测定是为了确认植物提取物中存在的植物化学物质的细胞活力、细胞抑制和细胞毒性。
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引用次数: 0
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BMC Complementary Medicine and Therapies
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