1.Design and establishment of a database for toxins and molecular mass spectra of drugs
Xuemeng LI ; Mengfan LI ; Junjie MA ; Bin XU ; Jie DU ; Wei YOU ; Jia CHEN ; Jianwei XIE ; Dongsheng ZHAO
Military Medical Sciences 2025;49(1):41-46
Objective To construct a database for molecular mass spectra of toxins and drugs in order to facilitate the management and retrieval of mass spectra for nerve agents,metabolites and other small molecules.Methods Requirement analysis and functional design were performed using software engineering methods.The Spec2Vec algorithm was used for vector representation of mass spectra,while SMILES molecular structures were vectorized using the extended connectivity fingerprint(ECFP).A data storage model integrating structured information and vector representations was established using the Milvus database.Similarity search of mass spectra and molecular structures was conducted via vector similarity comparison and the FlashEntropySearch algorithm.Results The constructed database of mass spectra encompassed over 400,000 entries from such sources as OCAD,NIST,MASSBANK,metabolic products,and natural products of TCM,which was capable of searching for similarities in mass spectra and molecular structures.On a standard server,similarity search of mass spectra took no more than 5 seconds,while that of molecular structures took no more than 1 second.Conclusion The system enables efficient management of complex mass spectra and provides rapid retrieval and comparison of mass spectra-related information through advanced vector indexing technology,offering robust data support and research tools for toxicology and pharmacology.
2.Exploring the mechanism of cistanche in the treatment of Alzheimer′s disease based on network pharmacology and animal experiment
Jie Zhao ; Dongsheng Huo ; Hongbo Zhu ; Shibin Zhang ; Jianxin Jia
Acta Universitatis Medicinalis Anhui 2025;60(7):1266-1274
Objective:
To explore the mechanism of cistanche deserticola(meat cistanche) in treating Alzheimer′s disease(AD) through network pharmacology, molecular docking, and animal experiments.
Methods :
Effective components of meat cistanche were mined from the TCMSP database, and AD-related targets were filtered using the SwissTargetPrediction, DisGeNET, and GeneCards databases. The intersection of these targets was analyzed using protein-protein interaction(PPI) networks. Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment analyses were conducted via the Metascape database. Molecular docking of meat cistanche′s active components with core targets was performed using AutoDock Vina. Based on network pharmacology predictions, an AD model was established using 8-month-old SAMP8 mice, with Morris water maze tests assessing learning and cognitive functions, Nissl staining observing hippocampal neuron morphology, and enzyme-linked immunosorbent assays and Western blotting detecting the expression levels of cAMP signaling pathway-related proteins in hippocampal tissues.
Results :
Network pharmacology analysis predicted that meat cistanche might act on 74 AD targets through 8 active components. Molecular docking showed high affinity of active components like acteoside with core targets such as ESR1, BDNF, MAPK1, and APP. KEGG analysis indicated involvement in pathways related to cancer, cAMP signaling, and AD. Animal experiments demonstrated that meat cistanche effectively improved learning and cognitive impairments in AD mice and alleviated hippocampal neuron damage. ELISA and Western blotting results indicated that meat cistanche significantly increased the expression levels of cAMP, PKA, P-CREB in the cAMP pathway and promoted the expression of downstream neurotrophic factor BDNF.
Conclusion
Meat cistanche can improve learning and cognitive disorders in AD model mice and may exert therapeutic effects on AD by up-regulating the cAMP signaling pathway and the expression of downstream BDNF protein targets, thereby improving hippocampal neuron injury.
3.Association between Residential Greenness and Cardiometabolic Risk Factors among Adults in Rural Xinjiang Uygur Autonomous Region,China:A Cross-Sectional Study
Jian LEYAO ; Yang BO ; Ma RULIN ; Guo SHUXIA ; He JIA ; Li YU ; Ding YUSONG ; Rui DONGSHENG ; Mao YIDAN ; He XIN ; Sun XUEYING ; Liao SHENGYU ; Guo HENG
Biomedical and Environmental Sciences 2024;37(10):1184-1194
Objective This study aimed to explore the relationships between residential greenness and cardiometabolic risk factors among rural adults in Xinjiang Uygur Autonomous Region(Xinjiang)and thus provide a theoretical basis and data support for improving the health of residents in this region. Methods We recruited 9,723 adult rural residents from the 51st Regiment of the Third Division of the Xinjiang Production and Construction Corps in September 2016.The normalized difference vegetation index(NDVI)was used to estimate residential greenness.The generalized linear mixed model(GLMM)was used to examine the association between residential greenness and cardiometabolic risk factors. Results Higher residential greenness was associated with lower cardiometabolic risk factor prevalence.After adjustments were made for age,sex,education,and marital status,for each interquartile range(IQR)increase of NDVI500-m,the risk of hypertension was reduced by 10.3%(OR=0.897,95%CI=0.836-0.962),the risk of obesity by 20.5%(OR=0.795,95%CI=0.695-0.910),the risk of type 2 diabetes by 15.1%(OR=0.849,95%CI=0.740-0.974),and the risk of dyslipidemia by 10.5%(OR=0.895,95%CI=0.825-0.971).Risk factor aggregation was reduced by 20.4%(OR=0.796,95%CI=0.716-0.885)for the same.Stratified analysis showed that NDVI500-m was associated more strongly with hypertension,dyslipidemia,and risk factor aggregation among male participants.The association of NDVI500-m with type 2 diabetes was stronger among participants with a higher education level.PM10 and physical activity mediated 1.9%-9.2%of the associations between NDVI500-m and obesity,dyslipidemia,and risk factor aggregation. Conclusion Higher residential greenness has a protective effect against cardiometabolic risk factors among rural residents in Xinjiang.Increasing the area of green space around residences is an effective measure to reduce the burden of cardiometabolic-related diseases among rural residents in Xinjiang.
4.To construct a risk model and study the immune mechanism of genes related to myocardial infarction and cuproptosis based on bioinformatics and single cell sequencing
Xing JU ; Lianqun JIA ; Zhe ZHANG ; Dongsheng WEI ; Jingsheng ZHANG ; Guanlin YANG
Chinese Journal of Immunology 2024;40(11):2247-2256
Objective:Integrating genes and GEO database related cuproptosis chips,to analyze connection between cupropto-sis genes,immune infiltration and myocardial infarction(MI),construct risk prediction model,predict Western medicine and Chi-nese medicine,analyze miRNA-mRNA regulatory network,and to provides a new research direction for the future study of MI-related cuproptosis mechanism and immune infiltration.Methods:By GEO database retrieval of MI related chips,standardized processing and MI-related cuproptosis genes screening were performed,and immunoinfiltration analysis and quantification were performed based on the treated gene expression matrix,correlation between immune infiltrating cells and function was analyzed,as well as their differ-ences in MI group and the control group.Cuproptosis genes that most related to MI in immune infiltration were screened out,and the risk model was constructed to analyze the risk probability of cuproptosis genes in MI.The Enrichr website and Coremine Medical data-base were used to predict cuproptosis-related genes in MI in Western medicine and traditional Chinese medicine.Finally,the up-stream mirnas of FDX1 and SLC31A1 were predicted by miRTarBase,Starbase and Targetscan databases,and miRNA-mRNA regula-tory networks were constructed.Results:Correlation of immune infiltration showed that Tfh cells and B cells had the strongest positive correlation(r=0.68),while regulatory T cells and iDC had the strongest negative correlation(r=-0.63);the difference analysis of im-mune infiltration showed that the differences among mast cells,NK cells and Th1 cells in the MI group at the cellular level were the most significant(P<0.001);and the differences in APC co-inhibition and MHCⅠ at the functional level were the most significant(P<0.001).Six genes with the highest correlation between immune cells and immune function were screened out:ATP7A,DLD,FDX1,LIAS,LIPT1 and SLC31A1.Results of the risk model showed that the high levels of FDX1 and SLC31A1 were negatively correlated with the risk prediction of MI.A total of 21 Western medicines and 30 traditional medicines were predicted by database comparison.miRTarBase,Starbase and Targetscan databases predicted 9 upstream miRNAs of cuproptosis-related genes in MI,including has-miR-122-5p.Conclusion:Tfh cells,B cells,para-inflammatory,typeⅠinterferon response and other related immune cells and functions may play important roles in pathogenesis and prognosis of MI.FDX1 and SLC31A1 as the key genes of cuproptosis process,are negatively correlated with MI.A total of 30 kinds of traditional Chinese medicines including Spirulina,sheep liver,Wen ezhu,Pian jianghuang and Yujin may have potential value in treatment of MI.Finally,9 miRNAs including has-miR-122-5p may play an important role in the regulation of cuproptosis in myocardial infarction.
5.Effects of acute sleep deprivation on behavior and synaptic biomarker expression in rats
Shibin ZHANG ; Lu WANG ; Chu WANG ; Pengcheng GUO ; Xusheng YAN ; Dongsheng HUO ; Zhanjun YANG ; Yanguo WANG ; Jianxin JIA
Chinese Journal of Comparative Medicine 2024;34(5):55-64
Objective To investigate the effects of acute sleep deprivation on the behavior and synaptic protein expression of rats.Methods Seventy healthy male Wistar rats were randomly divided into seven groups,a Control group and sleep deprivation groups(24,48,72,96,120 and 144 hours).The sleep deprivation rat model was established by the modified multiplatform water environment sleep deprivation method.Spatial learning and memory were assessed by the Morris water maze.Anxiety was assessed by the open field test.The morphology and quantity of hippocampal neurons were observed by Nissl staining.Western blot and Real-time PCR were used to determine the expression of synaptophysin(SYN),post-synaptic density protein-95(PSD-95),and brain-derived neurotrophic factor(BDNF)in rats.Results Compared with the Control group,the numbers of standing and modification were significantly increased by prolongation of the sleep deprivation time(P<0.05).The escape latency and path length were significantly increased in 120 and 144 h groups(P<0.05),whereas the number of platform crossings and the percentage of the target quadrant time were significantly decreased(P<0.01)and negatively correlated to the sleep deprivation time.The expression levels of BDNF,SYN,and PSD-95 were significantly decreased with the prolongation of sleep deprivation time(P<0.01).Conclusions With the increase in sleep deprivation time,cognitive dysfunction and anxiety gradually deteriorated,which may be related to decreases in the expression of synaptic biomarkers.
6.Theoretical basis of bone-touching acupuncture method for brain diseases based on the "bone-brain axis".
Tianchen YU ; Jia WANG ; Yuqing WANG ; Jiaying LU ; Yuxin SU ; Dongsheng XU ; Yihan LIU ; Jingjing CUI
Chinese Acupuncture & Moxibustion 2024;44(12):1445-1448
The bone-touching acupuncture method, as one of the five-body acupuncture techniques, is widely used and highly effective in the treatment of brain diseases, though its theoretical foundation has been lacking. This paper explores the close connection between bones and the brain in both physiological and pathological states, as described in traditional Chinese medicine (TCM) classics, and explains the "bone-brain axis" concept within the framework of TCM. It summarizes the effects and characteristics of the five-body acupuncture techniques, traces the origins and modern applications of the bone-touching acupuncture method, and discusses its theoretical basis for treating brain diseases. The aim is to provide a reference for future clinical and mechanistic research on bone-touching acupuncture in brain disease treatment and to offer new perspectives and approaches for acupuncture treatment of brain diseases.
Humans
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Acupuncture Therapy/methods*
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Brain/physiopathology*
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Brain Diseases/physiopathology*
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Bone and Bones/physiopathology*
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Medicine, Chinese Traditional/methods*
7.Effects of Cistanches Herba polysaccharides on rats with constipation-predominant irritable bowel syndrome
Yanzhong LIU ; Xinmei JIA ; Hongzhang GUO ; Xuelian WANG ; Dongsheng LIU
China Pharmacy 2023;34(18):2208-2212
OBJECTIVE To investigate the effects of Cistanches Herba polysaccharides (abbreviated as CDPS) on rats with constipation-predominant irritable bowel syndrome (IBS-C). METHODS SD rats were divided into control group (20 rats) and modeling group. The modeling group was given 2 mL of normal saline at 0-4 ℃ intragastrically (once a day, for 14 consecutive days) to induce IBS-C model. After modeling, model rats were grouped into model group, positive control group (mosapride citrate, 1.35 mg/kg), CDPS low-dose group (50 mg/kg) and CDPS high-dose group (100 mg/kg), with 20 rats in each group. Administration groups were given corresponding drug solution intragastrically, and control group and model group were given a constant volume of water intragastrically, once a day, for 28 consecutive days. The fecal water content, serum content of 5-hydroxytryptamine (5-HT), and charcoal powder propulsion rate of rats were determined in each group;the pathological morphology of colon tissue was observed, and mRNA and protein expressions of nerve growth factor (NGF) and tropomyosin receptor kinase A (TrkA) in colon tissue were detected. RESULTS Compared with control group, the fecal water content and carbon powder propulsion rate in the model group were decreased significantly (P<0.05); the rupture of mucosal muscle layer in colon tissue, significant infiltration of inflammatory cells and cellular edema were observed; the content of 5-HT in serum, and relative mRNA and protein expressions of NGF and TrkA were increased significantly (P<0.05). Compared with model group, the fecal water content and carbon powder propulsion rate of rats were increased significantly in administration groups (P<0.05), and pathological changes of colon tissue were relieved significantly, while the content of 5-HT in serum, the mRNA and protein expressions of NGF and TrkA in colon tissue were decreased significantly (P<0.05); among them, the above indicators inthe positive control group and CDPS high-dose group were generally close to those in the control group (P>0.05). CONCLUSIONS CDPS can alleviate the symptoms of IBS-C rats, which may be related to the inhibition of NGF/TrkA signaling pathway.
8.Correlation of serum pro-gastrin-releasing peptide, sugar chain antigen 242, procalcitonin levels in patients with chronic atrophic gastritis with intestinal metaplasia and Helicobacter pylori infection and prognosis
Lin JIN ; Yunxiang CHU ; Dongsheng WANG ; Yan WENG ; Zhiwei JIA ; Xiaochuan LIU
Chinese Journal of Postgraduates of Medicine 2023;46(6):521-525
Objective:To investigate the correlation of serum pro-gastrin-releasing peptide (ProGRP), sugar chain antigen 242(CA242), procalcitonin(PCT) levels in patients with chronic atrophic gastritis (CAG) with intestinal metaplasia and Helicobacter pylori(Hp) infection and prognosis.Methods:One hundred patients with CAG intestinal metaplasia in Emergency General Hospital were selected as the research objects, and they were divided into infection group (75 cases) and non-infected group (25 cases) according to whether they had Hp infection. The clinical data, levels of serum ProGRP, CA242, and PCT were compared between the two groups, and the diagnostic value of the combination of serum indicators in the diagnosis of Hp infection in CAG intestinal metaplasia patients and their correlation with prognosis were analyzed.Results:The degree of atrophy and intestinal metaplasia in the infected group were higher than those in the non-infected group ( P<0.05). The levels of serum ProGRP, CA242 and PCT in the infected group were higher than those in the non-infected group: (159.41 ± 42.38) ng/L vs. (105.84 ± 18.29) ng/L, (7.24 ± 2.28) kU/L vs. (4.12 ± 1.30) kU/L, (3.84 ± 1.12)μg/L vs. (2.57 ± 0.82) μg/L, there were statistical differences ( P<0.05). The results of Spearman analysis showed that the levels of ProGRP, CA242, PCT had positive correlation with atrophy degree ( r = 0.614, 0.629, 0.672, P<0.05), and had positive correlation with intestinal metaplasia degree ( r = 0.574, 0.591, 0.603, P<0.05). The area under the curve (AUC) for the combined diagnosis of Hp infection in patients with CAG intestinal metaplasia by serum ProGRP, CA242, and PCT was 0.874 (95% CI 0.793 - 0.932), the diagnostic sensitivity and specificity were 76.00% and 92.00%, respectively. The incidence of gastric neoplasms in patients with Hp positive combined diagnosis of serum ProGRP, CA242, and PCT within 2 years (11.86%) was higher than that of negative patients (0), but the difference was not statistically significant ( P>0.05). Conclusions:The levels of serum ProGRP, CA242 and PCT in patients with CAG intestinal metaplasia are closely related to Hp infection. The combination of various indicators has high application value in the diagnosis of Hp infection.
10.Study on the relationship between the pathological type of lung cancer caused by coke oven discharge and the contact type and exposure time.
Lin Lin WANG ; Xing LIANG ; Ke Jun JIA ; Yong Ping HE
Chinese Journal of Industrial Hygiene and Occupational Diseases 2022;40(10):761-764
Objective: To study the pathological types of lung cancer caused by coke oven emissions and analyze the correlation between different exposure levels. Methods: In October 2020, the relevant data of 86 confirmed cases of lung cancer caused by coke oven emissions (including basic information of patients, relevant occupational exposure and clinical data) were collected, The workers were grouped according to the different COEs concentrations in their posts: workers in auxiliary posts were taken as the low exposure group (11 persons) , The workers at coke side and furnace bottom are the medium exposure group (14 persons) , and the workers at furnace top are the high exposure group (61 persons) , and the correlation between pathological types of lung cancer and different exposure levels was analyzed. Results: There was no significant difference in age and length of service among the groups (P>0.05) ; The number of lung cancer cases and pathological types among workers in each group were statistically significant (P=0.044) . After adjusting for interference factors, the number of undifferentiated cancers (mainly small cell lung cancer) increased with the increase of exposure level, with a statistically significant difference (P=0.001) . The incidence of lung cancer increased gradually with the length of service, and the incidence rate of lung cancer among workers of different working ages was statistically significant (P<0.05) . Conclusion: Undifferentiated small cell carcinoma is the most common pathological type of lung cancer caused by coke oven emissions, and the incidence of lung cancer tends to increase with the length of service.
Humans
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Coke/analysis*
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Lung Neoplasms/epidemiology*
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Occupational Exposure/analysis*
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Polycyclic Aromatic Hydrocarbons/analysis*
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Pyrenes/analysis*


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