1.KG-CNNDTI: a knowledge graph-enhanced prediction model for drug-target interactions and application in virtual screening of natural products against Alzheimer's disease.
Chengyuan YUE ; Baiyu CHEN ; Long CHEN ; Le XIONG ; Changda GONG ; Ze WANG ; Guixia LIU ; Weihua LI ; Rui WANG ; Yun TANG
Chinese Journal of Natural Medicines (English Ed.) 2025;23(11):1283-1292
Accurate prediction of drug-target interactions (DTIs) plays a pivotal role in drug discovery, facilitating optimization of lead compounds, drug repurposing and elucidation of drug side effects. However, traditional DTI prediction methods are often limited by incomplete biological data and insufficient representation of protein features. In this study, we proposed KG-CNNDTI, a novel knowledge graph-enhanced framework for DTI prediction, which integrates heterogeneous biological information to improve model generalizability and predictive performance. The proposed model utilized protein embeddings derived from a biomedical knowledge graph via the Node2Vec algorithm, which were further enriched with contextualized sequence representations obtained from ProteinBERT. For compound representation, multiple molecular fingerprint schemes alongside the Uni-Mol pre-trained model were evaluated. The fused representations served as inputs to both classical machine learning models and a convolutional neural network-based predictor. Experimental evaluations across benchmark datasets demonstrated that KG-CNNDTI achieved superior performance compared to state-of-the-art methods, particularly in terms of Precision, Recall, F1-Score and area under the precision-recall curve (AUPR). Ablation analysis highlighted the substantial contribution of knowledge graph-derived features. Moreover, KG-CNNDTI was employed for virtual screening of natural products against Alzheimer's disease, resulting in 40 candidate compounds. 5 were supported by literature evidence, among which 3 were further validated in vitro assays.
Alzheimer Disease/drug therapy*
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Biological Products/therapeutic use*
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Humans
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Neural Networks, Computer
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Machine Learning
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Drug Discovery/methods*
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Algorithms
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Drug Evaluation, Preclinical/methods*
2.Construction and identification of recombinant fowl adenovirus 4 expressing Cap protein of goose astrovirus virus genotype 2
Xingyu LI ; Yan LI ; Panpan YANG ; Junjie LIU ; Mengjia XIANG ; Yutao ZHU ; Luyao QIU ; Qilong QIAO ; Boshun ZHANG ; Dexin BU ; Chenghao HAN ; Chunmei YU ; Yanfang CONG ; Zeng WANG ; Jianli LI ; Baiyu WANG ; Jun ZHAO
Chinese Journal of Veterinary Science 2025;45(3):443-448,513
To construct a recombinant fowl adenovirus 4(FAdV-4)expressing the Cap protein of goose astrovirus genotype 2(GoAstV-2),the expression cassette of Cap gene was inserted into the natural 1 966 bp deletion region of the FAdV-4 genome in the infectious clone p15A-cm-FAdV4-HNJZ.The resulted recombinant plasmid p15A-cm-FAdV4-HNJZ-Cap/GoAstV-2 was linearized with restriction enzyme and transfected into chicken hepatoma cell line(LMH)to rescue the recombinant FAdV-4 expressing the Cap protein of GoAstV-2,rF Ad V4-Cap/GoAstV-2.After 15 passages in LMH cells,the recombinant rFAdV4-Cap/GoAstV-2 was identified by PCR using primers flanking the insertion site of the Cap gene expression cassette and using viral genome DNA extracted from rFAdV4-Cap/GoAstV-2 infected LMH cells as template.LMH cells were in-fected with 15th passage rFAdV4-Cap/GoAstV-2 and indirect immunofluorescence was performed with a polyclonal antibody against Cap protein as the primary antibody.Western blot was carried out with lysates of rFAdV4-Cap/GoAstV-2 infected LMH cells.The in vitro replication dynamic of the 15th passage of the rFAdV4-Cap/GoAstV-2 was also investigated in LMH cells.The results demonstrated that the Cap gene of GoAstV-2 was presented in the genome of the recombinant vi-rus rF AdV4-Cap/Go Ast V-2,and could be expressed stably.The prepared recombinant virus in this study will lay a foundation for developing inactivated bivalent vaccine candidate against co-in-fection of FAdV-4 and GoAstV-2 in goose.
3.Construction and identification of recombinant fowl adenovirus 4 expressing Cap protein of goose astrovirus virus genotype 2
Xingyu LI ; Yan LI ; Panpan YANG ; Junjie LIU ; Mengjia XIANG ; Yutao ZHU ; Luyao QIU ; Qilong QIAO ; Boshun ZHANG ; Dexin BU ; Chenghao HAN ; Chunmei YU ; Yanfang CONG ; Zeng WANG ; Jianli LI ; Baiyu WANG ; Jun ZHAO
Chinese Journal of Veterinary Science 2025;45(3):443-448,513
To construct a recombinant fowl adenovirus 4(FAdV-4)expressing the Cap protein of goose astrovirus genotype 2(GoAstV-2),the expression cassette of Cap gene was inserted into the natural 1 966 bp deletion region of the FAdV-4 genome in the infectious clone p15A-cm-FAdV4-HNJZ.The resulted recombinant plasmid p15A-cm-FAdV4-HNJZ-Cap/GoAstV-2 was linearized with restriction enzyme and transfected into chicken hepatoma cell line(LMH)to rescue the recombinant FAdV-4 expressing the Cap protein of GoAstV-2,rF Ad V4-Cap/GoAstV-2.After 15 passages in LMH cells,the recombinant rFAdV4-Cap/GoAstV-2 was identified by PCR using primers flanking the insertion site of the Cap gene expression cassette and using viral genome DNA extracted from rFAdV4-Cap/GoAstV-2 infected LMH cells as template.LMH cells were in-fected with 15th passage rFAdV4-Cap/GoAstV-2 and indirect immunofluorescence was performed with a polyclonal antibody against Cap protein as the primary antibody.Western blot was carried out with lysates of rFAdV4-Cap/GoAstV-2 infected LMH cells.The in vitro replication dynamic of the 15th passage of the rFAdV4-Cap/GoAstV-2 was also investigated in LMH cells.The results demonstrated that the Cap gene of GoAstV-2 was presented in the genome of the recombinant vi-rus rF AdV4-Cap/Go Ast V-2,and could be expressed stably.The prepared recombinant virus in this study will lay a foundation for developing inactivated bivalent vaccine candidate against co-in-fection of FAdV-4 and GoAstV-2 in goose.
4.Analyzing the social health status of older adults in urban communities and its associated factors
Jiawei LI ; Xiaoqing MENG ; Chao GAO ; Baiyu ZHOU ; Shangxin LIU ; Jiahui YAN ; Qiyu PAN ; Yan CEN ; Juqiang CHEN ; Pulin YU
Chinese Journal of Geriatrics 2024;43(10):1321-1325
Objective:To examines the social health status and influencing factors affecting the elderly population in urban communities of Beijing, based on the "the Standard for Healthy Chinese Older Adults(2022)" .Methods:Using the stratified sampling method, a total of 159 elderly individuals aged 60 and above from the Lanyuan community in the Malianwa street jurisdiction of Haidian district, Beijing, were selected as research subjects.The average age of the participants was(70.7±7.9)years, comprising 74 males and 85 females.Household face-to-face interviews were conducted, utilizing self-compiled questionnaires to perform a comprehensive assessment and analysis of the social health status of the elderly.Results:In the study involving community-based elderly participants, 32.1%(51 cases)were classified as healthy.The analysis revealed statistically significant differences in the social health status among various age groups of the elderly( χ2=11.802, P=0.019), with a notable downward trend in social health status as age increases( χ2=9.626, P=0.002).Furthermore, the results of multivariate Logistic regression analysis indicated that educational level( OR=2.119, 95% CI: 1.044-4.031, P=0.038)and chronic disease status( OR=5.007, 95% CI: 1.083-23.140, P=0.039)are significant influencing factors on the social health status of older adults. Conclusions:The social health status of the elderly in urban communities in Beijing is generally low and deteriorates progressively with age.Both educational attainment and chronic disease prevalence significantly influence the social health of this demographic.For elderly individuals with lower educational levels and poor chronic disease management, it is essential to conduct social health assessments and implement targeted intervention strategies to enhance their overall social health.
5.An investigation on multidimensional health status and its influencing factors among the elderly in a community of Beijing
Shangxin LIU ; Jiahui YAN ; Jing SHI ; Chao GAO ; Baiyu ZHOU ; Jiawei LI ; Xiao TAN ; Yongquan LIU ; Jing QI ; Pulin YU
Chinese Journal of Geriatrics 2024;43(12):1623-1629
Objective:To evaluate the health status of elderly individuals by examining physical, psychological, and social health, as well as analyzing the risk factors that affect these dimensions of health among community-dwelling residents.Methods:Utilizing whole group sampling, a total of 404 elderly individuals from the Meiyuan community, located under the jurisdiction of Malianwa Street in Haidian District, Beijing, were selected for this study.The status of physical health, mental health, social health and overall health in the elderly were evaluated by a self-made questionnaire.The influencing factors of health status in all dimensions were analyzed by Chi-square test and multiple logistic regression.Results:The overall health rate among elderly community-dwelling residents in the study was 21.3%(86 cases), while the rates for physical health, mental health, and social health were 66.8%(270 cases), 86.6%(350 cases), and 24.3%(98 cases), respectively.Marital status( OR=2.872, 95% CI: 1.462-5.641), residential status( OR=4.819, 95% CI: 1.294-17.952), cognitive function( OR=3.833, 95% CI: 1.899-7.734), health literacy( OR=0.455, 95% CI: 0.226-0.916), social participation( OR=1.642, 95% CI: 1.192-2.263), social adaptation( OR=1.716, 95% CI: 1.125-2.618), and social network( OR=1.727, 95% CI: 1.147-2.598)were identified as influencing factors for physical health in the elderly(all P<0.05).Factors affecting mental health included instrumental activities of daily living( OR=3.248, 95% CI: 1.997-5.282)and health risk factors( OR=2.475, 95% CI: 1.315-4.656)(all P<0.05).For social health, the influencing factors were residence status( OR=3.158, 95% CI: 1.280-7.794), sleep status( OR=1.801, 95% CI: 1.101-2.947), instrumental activities of daily living( OR=2.966, 95% CI: 1.374-6.405), and life satisfaction( OR=2.362, 95% CI: 1.140-4.893)(all P<0.05).Additionally, education( OR=0.588, 95% CI: 0.360-0.962)and home care services( OR=2.272, 95% CI: 1.278-4.039)were found to affect the overall health of the elderly(all P<0.05). Conclusions:In this study, the overall health rate among community-dwelling elderly residents is reported to be 21.3%.Health status in this population gradually deteriorates with advancing age.Numerous factors influence the multidimensional health of the elderly, with education level and caregiving status identified as significant determinants of their overall health.
6.An investigation on multidimensional health status and its influencing factors among the elderly in a community of Beijing
Shangxin LIU ; Jiahui YAN ; Jing SHI ; Chao GAO ; Baiyu ZHOU ; Jiawei LI ; Xiao TAN ; Yongquan LIU ; Jing QI ; Pulin YU
Chinese Journal of Geriatrics 2024;43(12):1623-1629
Objective:To evaluate the health status of elderly individuals by examining physical, psychological, and social health, as well as analyzing the risk factors that affect these dimensions of health among community-dwelling residents.Methods:Utilizing whole group sampling, a total of 404 elderly individuals from the Meiyuan community, located under the jurisdiction of Malianwa Street in Haidian District, Beijing, were selected for this study.The status of physical health, mental health, social health and overall health in the elderly were evaluated by a self-made questionnaire.The influencing factors of health status in all dimensions were analyzed by Chi-square test and multiple logistic regression.Results:The overall health rate among elderly community-dwelling residents in the study was 21.3%(86 cases), while the rates for physical health, mental health, and social health were 66.8%(270 cases), 86.6%(350 cases), and 24.3%(98 cases), respectively.Marital status( OR=2.872, 95% CI: 1.462-5.641), residential status( OR=4.819, 95% CI: 1.294-17.952), cognitive function( OR=3.833, 95% CI: 1.899-7.734), health literacy( OR=0.455, 95% CI: 0.226-0.916), social participation( OR=1.642, 95% CI: 1.192-2.263), social adaptation( OR=1.716, 95% CI: 1.125-2.618), and social network( OR=1.727, 95% CI: 1.147-2.598)were identified as influencing factors for physical health in the elderly(all P<0.05).Factors affecting mental health included instrumental activities of daily living( OR=3.248, 95% CI: 1.997-5.282)and health risk factors( OR=2.475, 95% CI: 1.315-4.656)(all P<0.05).For social health, the influencing factors were residence status( OR=3.158, 95% CI: 1.280-7.794), sleep status( OR=1.801, 95% CI: 1.101-2.947), instrumental activities of daily living( OR=2.966, 95% CI: 1.374-6.405), and life satisfaction( OR=2.362, 95% CI: 1.140-4.893)(all P<0.05).Additionally, education( OR=0.588, 95% CI: 0.360-0.962)and home care services( OR=2.272, 95% CI: 1.278-4.039)were found to affect the overall health of the elderly(all P<0.05). Conclusions:In this study, the overall health rate among community-dwelling elderly residents is reported to be 21.3%.Health status in this population gradually deteriorates with advancing age.Numerous factors influence the multidimensional health of the elderly, with education level and caregiving status identified as significant determinants of their overall health.
7.An investigation and analysis on multidimensional health status of the rural elderly in Shandong
Shujun WANG ; Shangxin LIU ; Jing SHI ; Jiahui YAN ; Jixiang MA ; Liangxia CHEN ; Pulin YU ; Baiyu ZHOU
Chinese Journal of Geriatrics 2023;42(5):570-575
Objective:To evaluate and analyze the health status of the elderly from physical health, mental health and social health, so as to understand the health status and health service needs of rural elderly.Methods:A total of 263 elderly people aged 60 years and over(mean aged 70.9±7.9 years, 113 males and 150 females, 125 aged 60-69 years, 98 aged 70-79 years and 40 aged 80 years and over)in Nanwangkong Village, Shaozhuang Town, Qingzhou City, Weifang City, Shandong Province were selected by cluster sampling method.The physical, mental, social and overall health status of the elderly were comprehensively evaluated and analyzed by self-designed questionnaire.Results:The overall health rate was 30%(79 cases), and the physical health, mental health and social health rates were 73.8%(194 cases), 84.0%(221 cases)and 34.6%(91 cases), respectively, in rural elderly in this area.The physical health was better in males than in females in 80~ years old groups( χ2=5.736, P<0.05). The overall health was better in males than in females in the total age group and the 60~69 years old groups( χ2=7.468 and 11.116, both P<0.01). The proportions of unhealthy, basic healthy and healthy people in the overall and the dimensions of physical health, mental health and social health had significant differences in the 60~69, 70~79 and 80~ years old groups( χ2=40.590, 29.342, 18.503 and 27.615, all P<0.01), and the Chi-square test for trend showed that there was a statistically significant downward trend of overall health grade distribution with age( χ2=21.994, 12.831, 16.570 and 22.595, both P<0.01). Conclusions:In this study, 30.0% of the rural elderly were considered healthy, 48.3% were basically healthy, and 21.7% were unhealthy.The health status of the elderly gradually deteriorates with age.The government should strengthen the multidimensional health assessment of the rural elderly and provide the comprehensive health guidance services and targeted interventions for the elderly in terms of disease control, psychological counseling and social participation.
8.Health status of elderly residents in Beijing city: a survey and analysis based on the Health Criteria for Older Adults in China(2022)
Baiyu ZHOU ; Jiawei LI ; Shangxin LIU ; Jiahui YAN ; Qiyu PAN ; Shuqiang CHEN ; Lili YU ; Shan LIU ; Pulin YU
Chinese Journal of Geriatrics 2023;42(7):842-847
Objective:To evaluate and analyze the health status of elderly people from the physical, psychological and social aspects using the Health Criteria for Older Adults in China(2022), and to understand the impact of social demographic characteristics on the overall health status of the elderly.Methods:159 elderly people aged 60 years and over in the Lanyuan community of Malianwa Subdistrict, Haidian District, Beijing were selected by the stratified sampling method, with a mean age of(70.7±7.9)years, including 74 men and 85 women.The physical, psychological, social and overall health status of the elderly were comprehensively evaluated and analyzed from data collected through a self-designed questionnaire with face-to-face interviews at respondents' homes.Results:The percentage of participants in this community who were considered overall healthy was 30.2%(n=48). The proportions of those meeting the criteria for physical, mental and social health were 79.2%(n=126), 90.6%(n=144)and 32.1%(n=51), respectively.For participants of 3 age groups(60-69, n=89; 70-79, n=44; ≥80, n=26), differences in percentages of people who were considered not healthy, largely healthy and healthy, measured using the overall, physical, mental and social health criteria, were statistically significant( χ2=24.683, 57.096, 12.801, 11.802, all P<0.05), and results of the χ2test for trend showed that the frequency distribution of people with overall, physical, mental and social health decreased with age( χ2=16.878, 31.600, 9.626, 9.626, all P<0.05). Multivariate Logistic regression analysis showed that education level( OR=2.142, 95% CI: 1.053-4.538, P=0.035)was an influencing factor for overall health status of the elderly. Conclusions:The overall health status of community-dwelling elderly people in Beijing is relatively poor and deteriorates with age.Education level is a factor affecting their health status.Health assessment for the elderly should be strongly advocated, and targeted health education should be provided for the elderly in disease prevention and mental health care.
9.Application study of panoramic teaching mode in the teaching of clinical interns in the department of respiratory medicine
Fanrong MENG ; Xiuhong MA ; Fenghong YU ; Baiyu LIU ; Fengzhao HAN
Chinese Journal of Medical Education Research 2022;21(4):446-450
Objective:To explore the value of panoramic teaching in clinical practice teaching of department of respiratory medicine.Methods:A total of 35 clinical interns who had a 3-week rotation in the department of respiratory medicine from October 2019 to June 2020 were selected, and they were divided into a control group ( n=17) and a study group ( n=18) according to the order of admission. The control group used traditional teaching, and the research group used panoramic teaching. After the teaching, the teaching effect was evaluated through theoretical knowledge assessment, practical assessment and questionnaire survey. SPSS 19.0 was used for t test. Results:There was no statistically significant difference between the two groups of interns in theoretical assessment [(89.62±4.05) points vs. (90.84±4.12) points, t=-0.891, P=0.379]. The results of practice assessment (case analysis, physical examination of the department, medical history inquiry and skills manipulation) of the study group were significantly higher than those of the control group ( P<0.05). The interns in study group were better than those in control group in such aspects as learning interest, self-learning ability, self-study ability, doctor-patient communication language expression ability, literature review ability, clinical thinking ability, comprehensive analysis ability, knowledge development ability, system diagnosis ability, teamwork ability and teaching satisfaction ( P<0.05). Conclusion:Panoramic teaching can effectively improve the ability of interns to master the clinical diagnosis and treatment of respiratory medicine, improve the teaching effect, and improve the learning ability and clinical competence of interns in the future.
10.Development of a set of indexes for the assessment of healthy older Chinese adults
Shangxin LIU ; Jiawei LI ; Baiyu ZHOU ; Shujun WANG ; Jing SHI ; Ziyi ZHOU ; Chao GAO ; Pulin YU
Chinese Journal of Geriatrics 2022;41(6):725-730
Objective:To develop a set of indexes for the assessment of healthy older adults in China, in order to provide a reference and basis for developing aging-related national policies, standardizing and guiding health management services for the elderly.Methods:A set of indexes for the assessment of healthy older adults in China was established based on a literature review, expert discussions, 2 rounds of Delphi surveys, expert consultations and a cross-sectional study assessing the indexes.Results:The positive coefficients for 2 rounds of expert consultations were 86.25%(69/80)and 94.52%(69/73), respectively.All surveyed experts(100%)specialized in the area of geriatric health and came from 22 provincial-level administrative regions in China.In the two rounds of consultations, the familiarity degree coefficients were 0.706-0.915 and 0.835-0.922, and the authority coefficients were 0.762-0.921 and 0.863-0.932, respectively.The mean importance scores of each index were 6.10-9.74 scores and 7.87-9.56 scores, with perfect score rates of 43%-99% and 75%-99%, respectively.The mean coefficients of variation(CV)were 0.19±0.05(0.07-0.34)and 0.16±0.03(0.10-0.21), respectively.The set of indexes for the assessment of healthy older Chinese adults covered multi-dimensions including physical health, mental health and social health, with 3 primary indexes, 11 secondary indexes and 17 tertiary indexes.Conclusions:The construction process of the set of indexes for the assessment of healthy Chinese adults was scientific and rigorous, and the panelists had a high level of agreement, strong authority and active participation.The set of indexes has comprehensive coverage and an inclusive framework, and indexes at each level are scientific and feasible.It can serve as a reference for the comprehensive assessment of health status of the elderly and for aging-related government policy formulation in the future.

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