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Research progress in digital auscultation: equipment and systems, characteristic parameters, and their application in diagnosis of pulmonary diseases and syndromes 数字听诊的研究进展:设备与系统、特征参数及其在肺部疾病和综合征诊断中的应用
Q3 Medicine Pub Date : 2025-03-01 Epub Date: 2025-05-13 DOI: 10.1016/j.dcmed.2025.03.004
Zhang Shuyi, Jiang Tao, Xu Jiatuo
Traditional Chinese medicine (TCM) auscultation has a long history, and with advancements in equipment and analytical methods, the quantitative analysis of auscultation parameters has determined. However, the complexity and diversity of auscultation, along with variations in devices, analytical methods, and applications, bring challenges to its standardization and deeper application. This review presents the advancements in auscultation equipment and systems, auscultation characteristic parameters, and their application in the diagnosis of pulmonary diseases and syndromes over the past 10 years, while also exploring the progress and challenges of current digital research of auscultation. This review also proposes the establishment of standardized protocols for the collection and analysis of auscultation data, the incorporation of advanced artificial intelligence (AI) auscultation analysis methods, and an exploration of the diagnostic utility of auscultatory features in pulmonary diseases and syndromes, so as to provide more precise decision support for intelligent diagnosis of pulmonary diseases and syndromes
中医听诊有着悠久的历史,随着仪器和分析方法的进步,听诊参数的定量分析已经确定。然而,听诊的复杂性和多样性,以及设备、分析方法和应用的变化,给听诊的规范化和深入应用带来了挑战。本文综述了近10年来听诊设备和系统、听诊特征参数及其在肺部疾病和综合征诊断中的应用进展,并探讨了当前听诊数字化研究的进展和挑战。本文还建议建立听诊数据采集和分析的标准化方案,结合先进的人工智能听诊分析方法,探索听诊特征在肺部疾病和综合征中的诊断应用,为肺部疾病和综合征的智能诊断提供更精确的决策支持
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引用次数: 0
Artificial intelligence in personalized cardiology treatment 个性化心脏病治疗中的人工智能
Q3 Medicine Pub Date : 2025-03-01 Epub Date: 2025-05-13 DOI: 10.1016/j.dcmed.2025.03.003
Abbas Mohammadi , Sheida Shokohyar
Cardiovascular diseases are the leading cause of death, requiring innovative approaches for prevention, diagnosis, and treatment. Personalized medicine customizes interventions according to individual characteristics, with artificial intelligence (AI) playing a key role in analyzing complex data to improve diagnostic accuracy, predict outcomes, and optimize therapies. AI can identify patterns in imaging and biomarkers, facilitating the earlier detection of medical conditions. Wearable devices and health applications facilitate continuous monitoring and personalized care. Emerging fields such as digital Chinese medicine offer additional perspectives by integrating traditional diagnostic principles with modern digital tools, contributing to holistic and individualized cardiovascular care. This study examines the advancements and challenges in personalized cardiovascular medicine, highlighting the need to address issues such as data privacy, algorithmic bias, and accessibility to promote the equitable application of personalized medicine.
心血管疾病是导致死亡的主要原因,需要创新的预防、诊断和治疗方法。个性化医疗根据个体特征定制干预措施,人工智能(AI)在分析复杂数据以提高诊断准确性、预测结果和优化治疗方面发挥关键作用。人工智能可以识别成像和生物标志物的模式,促进早期发现医疗状况。可穿戴设备和健康应用程序促进持续监测和个性化护理。数字中医等新兴领域通过将传统诊断原理与现代数字工具相结合,提供了额外的视角,有助于整体和个性化心血管护理。本研究探讨了个性化心血管医疗的进步和挑战,强调需要解决数据隐私、算法偏见和可及性等问题,以促进个性化医疗的公平应用。
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引用次数: 0
TCMLCM: an intelligent question-answering model for traditional Chinese medicine lung cancer based on the KG2TRAG method TCMLCM:基于KG2TRAG方法的中医肺癌智能问答模型
Q3 Medicine Pub Date : 2025-03-01 Epub Date: 2025-05-13 DOI: 10.1016/j.dcmed.2025.03.011
Zhou Chunfang , Gong Qingyue , Zhan Wendong , Zhu Jinyang , Luan Huidan

Objective

To improve the accuracy and professionalism of question-answering (QA) model in traditional Chinese medicine (TCM) lung cancer by integrating large language models with structured knowledge graphs using the knowledge graph (KG) to text-enhanced retrieval-augmented generation (KG2TRAG) method.

Methods

The TCM lung cancer model (TCMLCM) was constructed by fine-tuning ChatGLM2-6B on the specialized datasets Tianchi TCM, HuangDi, and ShenNong-TCM-Dataset, as well as a TCM lung cancer KG. The KG2TRAG method was applied to enhance the knowledge retrieval, which can convert KG triples into natural language text via ChatGPT-aided linearization, leveraging large language models (LLMs) for context-aware reasoning. For a comprehensive comparison, MedicalGPT, HuatuoGPT, and BenTsao were selected as the baseline models. Performance was evaluated using bilingual evaluation understudy (BLEU), recall-oriented understudy for gisting evaluation (ROUGE), accuracy, and the domain-specific TCM-LCEval metrics, with validation from TCM oncology experts assessing answer accuracy, professionalism, and usability.

Results

The TCMLCM model achieved the optimal performance across all metrics, including a BLEU score of 32.15%, ROUGE-L of 59.08%, and an accuracy rate of 79.68%. Notably, in the TCM-LCEval assessment specific to the field of TCM, its performance was 3% − 12% higher than that of the baseline model. Expert evaluations highlighted superior performance in accuracy and professionalism.

Conclusion

TCMLCM can provide an innovative solution for TCM lung cancer QA, demonstrating the feasibility of integrating structured KGs with LLMs. This work advances intelligent TCM healthcare tools and lays a foundation for future AI-driven applications in traditional medicine.
目的采用知识图(KG) -文本增强检索-增强生成(KG2TRAG)方法,将大型语言模型与结构化知识图相结合,提高中医肺癌问答(QA)模型的准确性和专业性。方法在天池中医、黄帝、神农中医专业数据集以及中医肺癌KG上,对ChatGLM2-6B进行微调,构建中医肺癌模型(TCM - cm)。应用KG2TRAG方法增强知识检索,通过chatgpt辅助线性化将KG三元组转换为自然语言文本,利用大型语言模型(llm)进行上下文感知推理。为了进行综合比较,我们选择MedicalGPT、HuatuoGPT和BenTsao作为基线模型。使用双语评估替代研究(BLEU)、面向回忆的注册评估替代研究(ROUGE)、准确性和特定领域的TCM- lceval指标来评估绩效,并由中医肿瘤学专家评估答案的准确性、专业性和可用性进行验证。结果TCMLCM模型在各指标上均达到最佳表现,BLEU评分为32.15%,ROUGE-L评分为59.08%,准确率为79.68%。值得注意的是,在针对中医领域的TCM- lceval评估中,其性能比基线模型高出3% - 12%。专家评价突出了优异的准确性和专业性。结论TCM可为中医肺癌QA提供创新解决方案,证明了结构化KGs与llm相结合的可行性。这项工作推进了智能中医保健工具,为未来人工智能在传统医学中的应用奠定了基础。
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引用次数: 0
Analysis of clinical characteristics and diagnostic prediction of Qi deficiency and blood stasis syndrome in acute ischemic stroke 急性缺血性脑卒中气虚血瘀证临床特征分析及诊断预测
Q3 Medicine Pub Date : 2025-03-01 Epub Date: 2025-05-13 DOI: 10.1016/j.dcmed.2025.03.010
Xu Hao , Zhu Xu , Li Bo , Liu Xiaodan , Pan Xihui , Deng Changqing
<div><h3>Objective</h3><div>To explore the clinical characteristics and methods for syndrome differentiation prediction, as well as to construct a predictive model for Qi deficiency and blood stasis syndrome in patients with acute ischemic stroke (AIS).</div></div><div><h3>Methods</h3><div>This study employed a retrospective case-control design to analyze patients with AIS who received inpatient treatment at the Neurology Department of The First Hospital of Hunan University of Chinese Medicine from January 1, 2013 to December 31, 2022. AIS patients meeting the diagnostic criteria for Qi deficiency and blood stasis syndrome were stratified into case group, while those without Qi deficiency and blood stasis syndrome were stratified into control group. The demographic characteristics (age and gender), clinical parameters [time from onset to admission, National Institutes of Health Stroke Scale (NIHSS) score, and blood pressure], past medical history, traditional Chinese medicine (TCM) diagnostic characteristics (tongue and pulse), neurological symptoms and signs, imaging findings [magnetic resonance imaging-diffusion weighted imaging (MRI-DWI)], and biochemical indicators of the two groups were collected and compared. The indicators with statistical difference (<em>P</em> < 0.05) in univariate analysis were included in multivariate logistic regression analysis to evaluate their predictive value for the diagnosis of Qi deficiency and blood stasis syndrome, and the predictive model was constructed by receiver operating characteristic (ROC) curve analysis.</div></div><div><h3>Results</h3><div>The study included 1 035 AIS patients, with 404 cases in case group and 631 cases in control group. Compared with control group, patients in case group were significantly older, had extended onset-to-admission time, lower diastolic blood pressure, and lower NIHSS scores (<em>P</em> < 0.05). Case group showed lower incidence of hypertension history (<em>P</em> < 0.05). Regarding tongue and pulse characteristics, pale and dark tongue colors, white tongue coating, fine pulse, astringent pulse, and sinking pulse were more common in case group. Imaging examinations demonstrated higher proportions of centrum semiovale infarction, cerebral atrophy, and vertebral artery stenosis in case group (<em>P</em> < 0.05). Among biochemical indicators, case group showed higher proportions of elevated fasting blood glucose and glycated hemoglobin (HbA1c), while lower proportions of elevated white blood cell count, reduced hemoglobin, and reduced high-density lipoprotein cholesterol (HDL-C) (<em>P</em> < 0.05). Multivariate logistic regression analysis identified significant predictors for Qi deficiency and blood stasis syndrome including: fine pulse [odds ratio (OR) = 4.38], astringent pulse (OR = 3.67), superficial sensory abnormalities (OR = 1.86), centrum semiovale infarction (OR = 1.57), cerebral atrophy (OR = 1.55), vertebral artery stenosis (OR = 1.62), and elev
目的探讨急性缺血性脑卒中(AIS)患者气虚血瘀证的临床特点及辨证预测方法,建立气虚血瘀证预测模型。方法采用回顾性病例对照设计,对2013年1月1日至2022年12月31日在湖南中医药大学第一医院神经内科住院的AIS患者进行分析。符合气虚血瘀证诊断标准的AIS患者分为病例组,不符合气虚血瘀证诊断标准的AIS患者分为对照组。收集两组患者的人口学特征(年龄、性别)、临床参数(发病至入院时间、美国国立卫生研究院卒中量表(NIHSS)评分、血压)、既往病史、中医诊断特征(舌脉)、神经系统症状和体征、影像学表现(磁共振成像-弥散加权成像(MRI-DWI))、生化指标进行比较。有统计学差异的指标(P <;采用多因素logistic回归分析,评价其对气虚血瘀证诊断的预测价值,并采用受试者工作特征(ROC)曲线分析构建预测模型。结果纳入AIS患者1 035例,病例组404例,对照组631例。与对照组相比,病例组患者年龄明显增大,发病至入院时间延长,舒张压降低,NIHSS评分降低(P <;0.05)。病例组高血压病史发生率较低(P <;0.05)。舌脉特征方面,病例组以舌色淡暗、舌苔白、脉细、脉涩、脉沉多见。影像学检查显示病例组半瓣膜体梗死、脑萎缩和椎动脉狭窄的比例较高(P <;0.05)。在生化指标中,病例组空腹血糖和糖化血红蛋白(HbA1c)升高的比例较高,白细胞计数升高、血红蛋白降低、高密度脂蛋白胆固醇(HDL-C)降低的比例较低(P <;0.05)。多因素logistic回归分析发现气虚血瘀证的显著预测因素包括:细脉[比值比(OR) = 4.38]、脉窄(OR = 3.67)、浅表感觉异常(OR = 1.86)、半瓣膜中心梗死(OR = 1.57)、脑萎缩(OR = 1.55)、椎动脉狭窄(OR = 1.62)、HbA1c升高(OR = 3.52)。综合预测模型的ROC曲线分析得出曲线下面积(AUC)为0.878[95%置信区间(CI) = 0.855 ~ 0.900]。结论气虚血瘀证是AIS的主要证型之一。脉细、脉涩、浅表感觉异常、半瓣膜梗死、脑萎缩、椎动脉狭窄、血糖升高、糖化血红蛋白升高、舌色苍白暗、舌苔白是AIS气虚血瘀证辨证的客观诊断重点指标。基于这些指标,建立辨证预测模型,为临床诊断提供更客观的依据,有助于在临床实践中快速识别该证候,减少误诊和漏诊。
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引用次数: 0
From digits towards digitization: the past, present, and future of traditional Chinese medicine 从数字到数字化:中医的过去、现在和未来
Q3 Medicine Pub Date : 2025-03-01 Epub Date: 2025-05-13 DOI: 10.1016/j.dcmed.2025.03.002
Qi Wang
Digitization is the inevitable path for the natural development of traditional Chinese medicine (TCM) in the context of the Fourth Industrial Revolution. The goal of TCM digitization is to generate intelligence from numbers. Originating from the reasoning paradigm of Xiangshu (象数, image-number) or phenotype-numerology thinking, TCM came with a deep correlation of clinical observations with digits and laid a strong theoretical basis for digitization. The digitization of TCM should start from the clinical aspect, solve the problem of electronic medical records, achieve standardization and informatization, and on this basis, form a TCM knowledge base through knowledge-building. This process depends on the combined efforts of multiple disciplines such as medicine, mathematics, and engineering to achieve the digitization and intelligent transformation of TCM. This era calls for TCM to break down barriers, embrace opportunities, and move towards digitization. However, during the transformation, it should maintain its essence, avoid simplistic conversions, be guided by scientific value, leverage cutting-edge technologies, and enhance the depth and breadth of the interpretation of TCM connotations. The digitization of TCM will also improve its service capabilities, create an innovative digitally-intelligent TCM service platform, and contribute to the development of “Healthy China” initiatives with wisdom and solutions.
数字化是第四次工业革命背景下中医药自然发展的必然路径。中医数字化的目标是从数字中生成智能。中医起源于象数或表型命理思维的推理范式,临床观察与数字有着深刻的关联,为数字化奠定了强有力的理论基础。中医数字化应从临床入手,解决电子病历问题,实现规范化和信息化,并在此基础上通过知识建设形成中医知识库。这一过程有赖于医学、数学、工程等多学科的共同努力,实现中医数字化、智能化转型。这个时代要求中医打破壁垒,拥抱机遇,走向数字化。但在转型过程中,应保持其本质,避免简单化的转换,以科学价值为导向,利用前沿技术,增强中医内涵解读的深度和广度。中医药数字化还将提升中医服务能力,打造创新型数字化智能中医服务平台,以智慧和解决方案助力“健康中国”事业发展。
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引用次数: 0
DeepSeek empowering traditional Chinese medicine: driving the intelligent innovation of traditional medicine 深医赋能中医:推动传统医学智能创新
Q3 Medicine Pub Date : 2025-03-01 Epub Date: 2025-05-13 DOI: 10.1016/j.dcmed.2025.03.001
Junfeng YAN
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引用次数: 0
Multi-target inhibition property of Persicaria hydropiper phytochemicals against gram-positive and gram-negative bacteria via molecular docking, dynamics simulation, and ADMET analysis 通过分子对接、动力学模拟和ADMET分析,桃干植物化学物质对革兰氏阳性和革兰氏阴性细菌的多靶点抑制特性
Q3 Medicine Pub Date : 2025-03-01 Epub Date: 2025-05-13 DOI: 10.1016/j.dcmed.2025.03.007
Golak Majumdar, Shyamapada Mandal
<div><h3>Objective</h3><div>To evaluate the antibacterial potential of bioactive compounds from <em>Persicaria hydropiper</em> (L.) (<em>P. hydropiper</em>) against bacterial virulence proteins through molecular docking (MD) and experimental validation.</div></div><div><h3>Methods</h3><div>Six bioactive compounds from <em>P. hydropiper</em> were investigated: catechin (CAT1), hyperin (HYP1), ombuin (OMB1), pinosylvin (PSV1), quercetin 3-sulfate (QSF1), and scutellarein (SCR1). Their binding affinities and potential binding pockets were assessed through MD against four bacterial target proteins with Protein Data Bank identifiers (PDB IDs): topoisomerase IV from <em>Escherichia coli</em> (<em>E. coli</em>) (PDB ID: 3FV5), <em>Staphylococcus aureus</em> (<em>S. aureus</em>) gyrase ATPase binding domain (PDB ID: 3U2K), CviR from <em>Chromobacterium violaceum</em> (<em>C. violaceum</em>) (PDB ID: 3QP1), and glycosyl hydrolase from <em>Pseudomonas aeruginosa</em> (<em>P. aeruginosa</em>) (PDB ID: 5BX9). Molecular dynamics simulations (MDS) were performed on the most promising compound-protein complexes for 50 nanoseconds (ns). Drug-likeness was evaluated using Lipinski's Rule of Five (RO5), followed by absorption, distribution, metabolism, excretion, and toxicity (ADMET) analysis using SwissADME and pkCSM web servers. Antibacterial activity was evaluated through disc diffusion assays, testing both individual compounds and combinations with conventional antibiotics [cefotaxime (CTX1, 30 μg/disc), ceftazidime (CAZ1, 30 μg/disc), and piperacillin (PIP1, 100 μg/disc)].</div></div><div><h3>Results</h3><div>MD revealed strong binding affinity (ranging from – 9.3 to – 5.9 kcal/mol) for all compounds, with CAT1 showing exceptional binding to 3QP1 (– 9.3 kcal/mol) and 5BX9 (– 8.4 kcal/mol). MDS confirmed the stability of CAT1-protein complexes with binding free energies of – 84.71 kJ/mol (5BX9-CAT1) and – 95.59 kJ/mol (3QP1-CAT1). Five compounds (CAT1, SCR1, PSV1, OMB1, and QSF1) complied with Lipinski's RO5 and showed favorable ADMET profiles. All compounds were non-carcinogenic, with CAT1 classified in the lowest toxicity class (VI). In antibacterial assays, CAT1 demonstrated significant activity against both gram-positive bacteria [<em>Streptococcus pneumoniae</em> (<em>S. pneumoniae</em>), <em>S. aureus</em>, and <em>Bacillus cereus</em> (<em>B. cereus)</em>] [zone diameter of inhibition (ZDI): 10 – 22 mm] and gram-negative bacteria [<em>Acinetobacter baumannii</em> (<em>A. baumannii</em>), <em>E. coli</em>, and <em>P. aeruginosa</em>] (ZDI: 14 – 27 mm). Synergistic effects were observed when CAT1 was combined with antibiotics and the growth inhibitory indices (GII) was 0.69 – 1.00.</div></div><div><h3>Conclusion</h3><div><em>P. hydropiper</em> bioactive compounds, particularly CAT1, show promising antibacterial potential through multiple mechanisms, including direct inhibition of bacterial virulence proteins and synergistic activity with conventional antib
目的通过分子对接(MD)和实验验证,评价水仙桃(pericaria hydropiper, P. hydropiper)活性化合物对细菌毒力蛋白的抑菌活性。方法对水椒中6种活性成分:儿茶素(CAT1)、金丝桃苷(HYP1)、麻豆苷(OMB1)、松木素(PSV1)、槲皮素3-硫酸酯(QSF1)和灯叶苷(SCR1)进行研究。利用蛋白数据库(Protein Data Bank identifiers, PDB ID)对四种细菌靶蛋白的结合亲和力和潜在结合袋进行了MD评估:大肠杆菌(E. coli)的拓扑异构酶IV (PDB ID: 3FV5)、金黄色葡萄球菌(S. aureus)的旋切酶ATPase结合域(PDB ID: 3U2K)、紫色色杆菌(C. violaceum)的CviR (PDB ID: 3QP1)和铜绿假单胞菌(P. aeruginosa)的糖基水解酶(PDB ID: 5BX9)。对最有前途的化合物-蛋白质复合物进行了50纳秒(ns)的分子动力学模拟(MDS)。采用Lipinski's Rule of Five (RO5)评估药物相似性,然后使用SwissADME和pkCSM web服务器进行吸收、分布、代谢、排泄和毒性(ADMET)分析。通过圆盘扩散试验评估抗菌活性,测试单个化合物和与常规抗生素[头孢噻肟(CTX1, 30 μg/盘),头孢他啶(CAZ1, 30 μg/盘),哌拉西林(PIP1, 100 μg/盘)]的联合。结果CAT1与3QP1 (- 9.3 kcal/mol)和5BX9 (- 8.4 kcal/mol)具有较强的结合亲和力(- 9.3 ~ - 5.9 kcal/mol)。MDS证实了cat1蛋白复合物的稳定性,结合自由能分别为- 84.71 kJ/mol (5BX9-CAT1)和- 95.59 kJ/mol (3QP1-CAT1)。5个化合物(CAT1、SCR1、PSV1、OMB1和QSF1)符合Lipinski’s RO5,并显示出良好的ADMET谱。所有化合物均无致癌性,CAT1属最低毒性类(VI)。在抗菌试验中,CAT1对革兰氏阳性菌[肺炎链球菌(S. pneumoniae)、金黄色葡萄球菌和蜡样芽孢杆菌(B. cereus)][抑制区直径(ZDI): 10 - 22 mm]和革兰氏阴性菌[鲍曼不动杆菌(A. baumannii)、大肠杆菌和铜绿假单胞菌](ZDI: 14 - 27 mm)均有显著活性。CAT1与抗生素联用有协同作用,生长抑制指数(GII)为0.69 ~ 1.00。水胡椒生物活性化合物,特别是CAT1,通过多种机制显示出良好的抗菌潜力,包括直接抑制细菌毒力蛋白和与传统抗生素的协同活性。其良好的药理特性和低毒性特性支持其作为细菌感染治疗剂的潜在发展。
{"title":"Multi-target inhibition property of Persicaria hydropiper phytochemicals against gram-positive and gram-negative bacteria via molecular docking, dynamics simulation, and ADMET analysis","authors":"Golak Majumdar,&nbsp;Shyamapada Mandal","doi":"10.1016/j.dcmed.2025.03.007","DOIUrl":"10.1016/j.dcmed.2025.03.007","url":null,"abstract":"&lt;div&gt;&lt;h3&gt;Objective&lt;/h3&gt;&lt;div&gt;To evaluate the antibacterial potential of bioactive compounds from &lt;em&gt;Persicaria hydropiper&lt;/em&gt; (L.) (&lt;em&gt;P. hydropiper&lt;/em&gt;) against bacterial virulence proteins through molecular docking (MD) and experimental validation.&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;h3&gt;Methods&lt;/h3&gt;&lt;div&gt;Six bioactive compounds from &lt;em&gt;P. hydropiper&lt;/em&gt; were investigated: catechin (CAT1), hyperin (HYP1), ombuin (OMB1), pinosylvin (PSV1), quercetin 3-sulfate (QSF1), and scutellarein (SCR1). Their binding affinities and potential binding pockets were assessed through MD against four bacterial target proteins with Protein Data Bank identifiers (PDB IDs): topoisomerase IV from &lt;em&gt;Escherichia coli&lt;/em&gt; (&lt;em&gt;E. coli&lt;/em&gt;) (PDB ID: 3FV5), &lt;em&gt;Staphylococcus aureus&lt;/em&gt; (&lt;em&gt;S. aureus&lt;/em&gt;) gyrase ATPase binding domain (PDB ID: 3U2K), CviR from &lt;em&gt;Chromobacterium violaceum&lt;/em&gt; (&lt;em&gt;C. violaceum&lt;/em&gt;) (PDB ID: 3QP1), and glycosyl hydrolase from &lt;em&gt;Pseudomonas aeruginosa&lt;/em&gt; (&lt;em&gt;P. aeruginosa&lt;/em&gt;) (PDB ID: 5BX9). Molecular dynamics simulations (MDS) were performed on the most promising compound-protein complexes for 50 nanoseconds (ns). Drug-likeness was evaluated using Lipinski's Rule of Five (RO5), followed by absorption, distribution, metabolism, excretion, and toxicity (ADMET) analysis using SwissADME and pkCSM web servers. Antibacterial activity was evaluated through disc diffusion assays, testing both individual compounds and combinations with conventional antibiotics [cefotaxime (CTX1, 30 μg/disc), ceftazidime (CAZ1, 30 μg/disc), and piperacillin (PIP1, 100 μg/disc)].&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;h3&gt;Results&lt;/h3&gt;&lt;div&gt;MD revealed strong binding affinity (ranging from – 9.3 to – 5.9 kcal/mol) for all compounds, with CAT1 showing exceptional binding to 3QP1 (– 9.3 kcal/mol) and 5BX9 (– 8.4 kcal/mol). MDS confirmed the stability of CAT1-protein complexes with binding free energies of – 84.71 kJ/mol (5BX9-CAT1) and – 95.59 kJ/mol (3QP1-CAT1). Five compounds (CAT1, SCR1, PSV1, OMB1, and QSF1) complied with Lipinski's RO5 and showed favorable ADMET profiles. All compounds were non-carcinogenic, with CAT1 classified in the lowest toxicity class (VI). In antibacterial assays, CAT1 demonstrated significant activity against both gram-positive bacteria [&lt;em&gt;Streptococcus pneumoniae&lt;/em&gt; (&lt;em&gt;S. pneumoniae&lt;/em&gt;), &lt;em&gt;S. aureus&lt;/em&gt;, and &lt;em&gt;Bacillus cereus&lt;/em&gt; (&lt;em&gt;B. cereus)&lt;/em&gt;] [zone diameter of inhibition (ZDI): 10 – 22 mm] and gram-negative bacteria [&lt;em&gt;Acinetobacter baumannii&lt;/em&gt; (&lt;em&gt;A. baumannii&lt;/em&gt;), &lt;em&gt;E. coli&lt;/em&gt;, and &lt;em&gt;P. aeruginosa&lt;/em&gt;] (ZDI: 14 – 27 mm). Synergistic effects were observed when CAT1 was combined with antibiotics and the growth inhibitory indices (GII) was 0.69 – 1.00.&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;h3&gt;Conclusion&lt;/h3&gt;&lt;div&gt;&lt;em&gt;P. hydropiper&lt;/em&gt; bioactive compounds, particularly CAT1, show promising antibacterial potential through multiple mechanisms, including direct inhibition of bacterial virulence proteins and synergistic activity with conventional antib","PeriodicalId":33578,"journal":{"name":"Digital Chinese Medicine","volume":"8 1","pages":"Pages 76-89"},"PeriodicalIF":0.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143936039","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The modulating of Qingguang’an II Formula on gut microbiota in mice with chronic high intraocular pressure by 16S rDNA sequencing 通过16S rDNA测序研究清光安二方对慢性高眼压小鼠肠道菌群的调节作用
Q3 Medicine Pub Date : 2024-12-01 Epub Date: 2025-02-26 DOI: 10.1016/j.dcmed.2025.01.006
Yasha Zhou , Wenyong Gao , Yu Huang , Xin Xia , Li Xiao , Ying Deng , Qinghua Peng , Jun Peng
<div><h3>Objective</h3><div>To investigate the effects of Qingguang'an II Formula (QGA II) on the gut microbiota of mice with chronic high intraocular pressure (IOP) model, and explore its key microbiota for protecting the optic nerve.</div></div><div><h3>Methods</h3><div>A total of 10 specific pathogen free (SPF) grade female DBA/2J mice were randomly divided into model group and QGA II group (<em>n</em> = 5 for each group), while additional 5 SPF-grade female C57BL/6J mice were assigned to control group. Mice presented spontaneous high IOP and showed elevated approximately at the age of seven months. The high IOP was maintained until week 38, when gavage was initiated. Mice in control group underwent the same intragastric treatment, while those in QGA II group were gavaged with QGA II (9.67 g/kg), once a day for four weeks. Retinal morphology was examined using hematoxylin and eosin (HE) staining, with the number of retinal ganglion cells (RGCs) counted. The expression level of Brn3a protein, a specific marker for RGCs, was detected by immunofluorescence, with the mean optical density (OD) measured for quantitative analysis. In addition, 16S rDNA sequencing was leveraged to analyze changes in the diversity of gut microbiota, including their <em>α</em>-diversity (Chao1, Shannon, Pielou’s evenness, and observed species index) and <em>β</em>-diversity. Venn diagrams and linear discriminant analysis effect size (LEfSe) analysis was employed to investigate the number of amplicon sequence variants (ASVs), the abundance of differential gut microbiota species, and the classification of species at both the phylum and genus levels within the three groups of mice.</div></div><div><h3>Results</h3><div>HE staining revealed that compared with control group, model group showed significant reduction in the number of RGCs (<em>P</em> < 0.01), with intracellular vacuolar degeneration and nuclear pyknosis. After QGA II treatment, the number of RGCs was significantly increased compared with model group (<em>P</em> < 0.01), with notable improvements in intracellular vacuolar degeneration. Immunofluorescence analysis showed that the mean OD of Brn3a protein was significantly decreased in model group compared with control group (<em>P</em> < 0.01), while QGA II treatment significantly elevated its expression level (<em>P</em> < 0.01). Analysis of <em>α</em>-diversity showed that after QGA II intervention, the Chao1, Shannon, and Pielou’s evenness indices were significantly increased (<em>P</em> < 0.01), and the observed species index was elevated (<em>P</em> < 0.05). <em>β</em>-Diversity analysis demonstrated distinct clustering among the three groups, indicating relatively low similarity in bacterial community structures. ASV clustering identified a total of 14 061 ASVs across all groups, with 9 514 ASVs shared between model and QGA II groups. At the phylum level, the abundance of <em>Bacteroidetes</em> was significantly decreased in model group co
目的观察清光安II方(QGA II)对慢性高眼压(IOP)模型小鼠肠道菌群的影响,探讨其保护视神经的关键菌群。方法将10只SPF级雌性DBA/2J小鼠随机分为模型组和QGA II组(每组5只),另取5只SPF级雌性C57BL/6J小鼠作为对照组。小鼠出现自发性高眼压,约在7月龄时升高。高眼压维持到第38周,开始灌胃。对照组小鼠灌胃相同,QGA II组小鼠灌胃QGA II (9.67 g/kg),每天1次,连续4周。苏木精和伊红(HE)染色观察视网膜形态,计数视网膜神经节细胞(RGCs)数量。免疫荧光法检测RGCs特异性标志物Brn3a蛋白的表达水平,测定平均光密度(OD)进行定量分析。此外,利用16S rDNA测序分析肠道菌群多样性的变化,包括α-多样性(Chao1、Shannon、Pielou’s均匀度和观察物种指数)和β-多样性。采用维恩图和线性判别分析效应大小(LEfSe)分析研究了三组小鼠的扩增子序列变异(asv)数量、差异肠道菌群物种丰度以及门和属水平的物种分类。结果she染色显示,与对照组比较,模型组RGCs数量明显减少(P < 0.01),胞内空泡变性,细胞核固缩。QGA II治疗后,与模型组比较,RGCs数量显著增加(P < 0.01),细胞内空泡变性明显改善。免疫荧光分析显示,模型组与对照组相比,Brn3a蛋白的平均OD值显著降低(P < 0.01),而QGA II处理显著提高其表达水平(P < 0.01)。α-多样性分析表明,QGA II干预后,Chao1、Shannon和Pielou均匀度指数显著升高(P < 0.01),观察物种指数升高(P < 0.05)。β-多样性分析显示,三组之间存在明显的聚类,表明细菌群落结构的相似性相对较低。ASV聚类在所有组中共识别出14061个ASV,其中9514个ASV在模型组和QGA II组之间共享。在门水平上,与对照组相比,模型组拟杆菌门丰度显著降低(P < 0.01),厚壁菌门丰度和厚壁菌门/拟杆菌门(F/B)比显著升高(P < 0.01)。QGA II处理显著降低了厚壁菌门丰度和F/B比(P < 0.01)。在属水平上,各组均以乳酸菌为优势菌,模型组乳酸菌丰度显著升高(P < 0.01), QGA II干预后其丰度降低(P < 0.05)。结论qga II对DBA/2J慢性高IOP小鼠肠道菌群进行了重组,改变了肠道菌群的多样性和丰度。厚壁菌门、拟杆菌门、乳酸杆菌及其相关微生物可能是肠道微生物群的关键组成部分,有助于QGA II对慢性高眼压小鼠的视神经保护作用。
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引用次数: 0
Recent advancements in digital and traditional treatment strategies for major depressive disorder using medicinal herbs 使用草药治疗重度抑郁症的数字和传统治疗策略的最新进展
Q3 Medicine Pub Date : 2024-12-01 Epub Date: 2025-02-26 DOI: 10.1016/j.dcmed.2025.01.002
Manasi Khadanga , Nihar Ranjan Kar , Nityananda Sahoo , Bichitrananda Tripathy
Integrating digital health technologies, including mobile applications and digital biomarkers, with traditional medicinal plants and phytochemicals may enhance the effectiveness of standard antidepressants. Mechanisms through which phytochemicals and digital health tools may alleviate depression are described based on currently known mechanisms. Traditional medicinal plants and phytochemicals may enhance the efficacy of standard antidepressants. This article provides an in-depth discussion of the known mechanisms through which phytochemicals and medicinal herbs may alleviate depression, and examines the diagnostic, preventive, and treatment practices for major depressive disorder (MDD), focusing on integrating digital innovations and phytotherapy.
将数字卫生技术(包括移动应用程序和数字生物标志物)与传统药用植物和植物化学物质相结合,可能会提高标准抗抑郁药的有效性。植物化学物质和数字健康工具可能缓解抑郁症的机制是根据目前已知的机制进行描述的。传统药用植物和植物化学物质可以增强标准抗抑郁药的疗效。本文深入讨论了植物化学物质和草药缓解抑郁症的已知机制,并探讨了重度抑郁症(MDD)的诊断、预防和治疗方法,重点是将数字创新与植物疗法相结合。
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引用次数: 0
Harnessing traditional herbal medicine: molecular insights into diabetic wound healing for modern therapeutics 利用传统草药:分子洞察糖尿病伤口愈合的现代治疗
Q3 Medicine Pub Date : 2024-12-01 Epub Date: 2025-02-26 DOI: 10.1016/j.dcmed.2025.01.003
Pavithra Bharathy , Punniyakoti Veeraveedu Thanikachalam
This study aims to explore the molecular aspects of the wound-healing potential of medicinal plants through preclinical and clinical research. This review focuses on the theoretical support and therapeutic effects of traditional herbal plants, herbal formulations, and active compounds in herbal medicine. It provides new insights into the management of diabetic wound healing with herbal medicine. A comprehensive literature review was conducted using keywords such as “herbal remedies” “diabetics” “wounds” “bioactive” “medicinal plant” and “growth factor” across several literature databases, namely, Wiley Online Library, Elsevier, Springer, PubMed, and Google Scholar. The available literature provides a basis for traditional remedies found to be effective in healing wounds by targeting key molecules involved in wound pathology, including collagen I & III, vascular endothelial growth factor (VEGF), tumor necrosis factor-alpha (TNF-α), nuclear factor kappa B (NF-κB), transforming growth factor (TGF)-β1, hydroxyproline (collagen component), superoxide dismutase (SOD), and Catalase (CAT). Numerous studies have investigated the presence of bioactive compounds in many plants for their wound-healing effects. The results underscore the potential of various plants in wound healing, highlighting the need for further pharmacological research before clinical application. These findings support the conventional use of herbal remedies and provide the basis for future research into the development of new therapeutic alternatives for wound healing.
本研究旨在通过临床前和临床研究,探索药用植物创面愈合潜力的分子机制。本文综述了传统草药植物、草药制剂和草药活性化合物的理论支持和治疗作用。它为糖尿病伤口愈合的草药管理提供了新的见解。以“草药”、“糖尿病”、“伤口”、“生物活性”、“药用植物”、“生长因子”等关键词对Wiley Online Library、Elsevier、施普林格、PubMed、谷歌Scholar等多个文献数据库进行了全面的文献综述。现有的文献为传统的治疗方法提供了有效的基础,这些方法是针对参与伤口病理的关键分子,包括胶原I和III、血管内皮生长因子(VEGF)、肿瘤坏死因子-α (TNF-α)、核因子κB (NF-κB)、转化生长因子(TGF)-β1、羟脯氨酸(胶原成分)、超氧化物歧化酶(SOD)、过氧化氢酶(CAT)。许多研究调查了许多植物中存在的生物活性化合物的伤口愈合作用。这些结果强调了各种植物在伤口愈合中的潜力,强调在临床应用前需要进一步的药理学研究。这些发现支持了草药的传统使用,并为未来研究开发新的伤口愈合治疗方案提供了基础。
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引用次数: 0
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Digital Chinese Medicine
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