1.Study on Compatibility and Efficacy of Blood-activating Herb Pairs Based on Graph Convolution Network
Jingai WANG ; Qikai NIU ; Wenjing ZONG ; Ziling ZENG ; Siwei TIAN ; Siqi ZHANG ; Yuwen ZHAO ; Huamin ZHANG ; Bingjie HUO ; Bing LI
Chinese Journal of Experimental Traditional Medical Formulae 2025;31(8):228-234
ObjectiveThis study aims to develop a prediction model for the compatibility of Chinese medicinal pairs based on Graph Convolutional Networks (GCN), named HC-GCN. The model integrates the properties of herbs with modern pharmacological mechanisms to predict pairs with specific therapeutic effects. It serves as a demonstration by applying the model to predict and validate the efficacy of blood-activating herb pairs. MethodsThe training dataset for herb pair prediction was constructed by systematically collecting commonly used herb pairs along with their characteristic data, including Qi, flavor, meridian tropism, and target genes. Integrating traditional characteristics of herb with modern bioinformatics, we developed an efficacy-oriented herb pair compatibility prediction model (HC-GCN) using graph convolutional networks (GCN). This model leverages machine learning to capture the complex relationships in herb pair compatibility, weighted by efficacy features. The performance of the HC-GCN model was evaluated using accuracy (ACC), recall, precision, F1 score (F1), and area under the ROC curve (AUC). Its predictive effectiveness was then compared to five other machine learning models: eXtreme Gradient Boosting (XGBoost), logistic regression (LR), Naive Bayes, K-nearest neighbor (KNN), and support vector machine (SVM). ResultsUsing herb pairs with blood-activating effects as a demonstration, a prediction model was constructed based on a foundational dataset of 46 blood-activating herb pairs, incorporating their Qi, flavor, meridian tropism, and target gene characteristics. The HC-GCN model outperforms other commonly used machine learning models in key performance metrics, including ACC, recall, precision, F1 score, and AUC. Through the predictive analysis of the HC-GCN model, 60 herb pairs with blood-activating effects were successfully identified. Among of these potential herb pairs, 44 include at least one herb with blood-activating effects. ConclusionIn this study, we established an efficacy-oriented compatibility prediction model for herb pairs based on GCN by integrating the unique characteristics of traditional herbs with modern pharmacological mechanisms. This model demonstrated high predictive performance, offering a novel approach for the intelligent screening and optimization of traditional Chinese medicine prescriptions, as well as their clinical applications.
2.Effect of Thyme Herbal Tea on Proliferation of Human Coronavirus OC43 in vitro and in vivo
Jixiang TIAN ; Tongtong ZHANG ; Yuning CHANG ; Peifang XIE ; Shuwei DONG ; Xiaoang ZHAO ; Yun WANG ; Chunhui ZHAO ; Hongwei WU ; Amei ZHANG ; Haizhou LI ; Xueshan XIA ; Huamin ZHANG
Chinese Journal of Experimental Traditional Medical Formulae 2024;30(23):81-89
ObjectiveTo investigate the effects of thyme herbal tea (BLX) on the proliferation of human coronavirus OC43 (HCoV-OC43) in vitro and in vivo. MethodThe chemical composition of BLX was analyzed by UPLC-MS. The cytotoxicity of BLX in HRT-18 cells and the effect of BLX treatment on the proliferation of HCoV-OC43 in cells were analyzed. Copies of viral gene were detected by real-time PCR. The effect of BLX treatment on the life cycle of HCoV-OC43 was detected by time-of-addition assay. The maximum tolerated dose of BLX and the influences of BLX on the body weight and survival time of suckling mice infected with HCoV-OC43 were determined. The expression of viral protein in the brain and lung tissue was analyzed by immunohistochemistry. ResultThere were 11 chemical components identified in BLX by UPLC-MS. BLX showed the 50% cytotoxic concentration (CC50) of (13 859.56±319) mg·L-1, the median inhibitory concentration (IC50) of (1 439.09±200) mg·L-1, and the selection index of 8.26-11.44 for HCoV-OC43 in HRT-18 cells. Compared with the cells infected with HCoV-OC43, BLX at the concentrations of 1 500, 1 000, 500 mg·L-1 inhibited the proliferation of this virus (P<0.05, P<0.01). BLX exhibited antiviral effect in the early stage of virus infection, and the inhibition role in the attachment stage was more significant than that in the entry stage (P<0.05). In the suckling mice infected with HCoV-OC43, BLX at 1200 and 600 mg·kg-1·d-1 alleviated the symptoms, prolonged the survival period, reduced the death rate, and down-regulated the mRNA level of nucleocapsid protein in the mice. Moreover, BLX at 1 200 mg·kg-1·d-1 down-regulated the expression of nucleocapsid protein in the brain (P<0.01) and the lung (P<0.01). ConclusionBLX contained multiple antiviral ingredients. It inhibited the proliferation of HCoV-OC43 both in vitro and in vivo by interference with viral attachment. This study provides theoretical reference for the treatment of acute respiratory tract infection with HCoV-OC43 and for further development and application of BLX.
3.Efficacy-driving Mechanism of Danhong Injection for Stable Angina Pectoris Based on Composition-activity Relationship of Target Modules
Siwei TIAN ; Wenjing ZONG ; Jun LIU ; Wei YANG ; Qikai NIU ; Siqi ZHANG ; Jing'ai WANG ; Huamin ZHANG ; Zhong WANG ; Bing LI
Chinese Journal of Experimental Traditional Medical Formulae 2024;30(23):121-128
ObjectiveTo explore the efficacy-driving mechanism of Danhong injection (DHI) in the treatment of stable angina pectoris (SAP) based on the composition-activity relationship of target modules and clarify the pharmacological effects of DHI. MethodAccording to the angina frequency (AF) in the Seattle Angina Questionnaire (SAQ) that was obtained in the previous clinical trial, the patients before and after DHI treatment were grouped based on efficacy. The transcriptomic data of the patients before treatment and in the best efficacy group 30 days post-treatment were selected as the data source, and then weighted gene co-expression network analysis (WGCNA) was employed to construct the co-expression network. Relevant modules in the network were identified and associated with clinical features. In addition, the On-modules (Z value below 0) were identified by Zsummary. The topological indicators such as density, centrality, and clustering coefficient were adopted to explore the dynamics of DHI efficacy at the network level and module level, respectively. In addition, the driver genes were screened by the personalized network control (PNC) algorithm. Finally, rat H9C2 cells were used to establish the model of hypoxia/reoxygenation (H/R), which was used to confirm the potential therapeutic target of DHI for SAP and provide a scientific basis for revealing the therapeutic mechanism of DHI. ResultWe identified 19 modules in the best efficacy group of DHI for SAP, and the comparison between day 0 and day 30 revealed 12 On-modules. The changes of network topological indicators at the network and module levels confirmed the correlation between the best efficacy of DHI treatment and topological dynamics. Finally, the driver genes, Klotho and fibroblast growth factor 22 (FGF22), in DHI treatment of SAP were verified by the H9C2 cell model of H/R. ConclusionBased on clinical transcriptome data, this study determined the composition-activity relationship of target modules of DHI for SAP, which provided a scientific basis for deciphering the efficacy-driven mechanism of DHI for SAP.
4.Construction of an Intelligent Diagnosis and Treatment Ontology for Traditional Chinese Medicine Based on Clinical Practice Guidelines:A Case Study of Coronary Heart Disease
Xiaohui SONG ; Huamin ZHANG ; Zhuang GUO ; Jiyao YIN ; Menghan LIU ; Juan ZHANG ; Qikai NIU ; Junwen WANG
Chinese Journal of Experimental Traditional Medical Formulae 2024;30(24):243-249
ObjectiveTo support intelligent clinical decision-making in traditional Chinese medicine(TCM), this study utilized ontology and knowledge graph construction techniques to achieve the IT application of clinical practice guidelines. MethodBased on the principles of findability, accessibility, interoperability, and reusability (FAIR principles), this study employed ontology techniques to construct an ontology for TCM clinical practice guidelines and built a knowledge graph using coronary heart disease as an example. Based on the Checklist for Reporting Practice Guidelines in Traditional Chinese Medicine and Recommendation Grading in TCM Clinical Guidelines/Consensus (T/CAS 530—2021),the ontology of TCM clinical practice guidelines was constructed using the seven-step ontology construction method. On this basis,the TCM diagnosis and treatment data from the Guidelines for the Diagnosis and Treatment of Stable Angina Pectoris in Coronary Heart Disease were stored in Neo4j in the form of triples through knowledge extraction,integration,and storage. ResultThe information in the clinical practice guidelines was divided into three categories: onset and prevention information, diagnosis information, and treatment information, and the TCM clinical practice guideline ontology was constructed. A total of 27 concepts related to TCM clinical diagnosis and treatment and 14 data attributes were obtained, and 12 conceptual relationships including hierarchical relationships and object attributes were established. By taking coronary heart disease as an example and the TCM clinical practice guideline ontology as the model layer, the knowledge map of TCM diagnosis and treatment guidelines for stable angina pectoris in coronary heart disease with 276 nodes and 336 relationships was constructed, realizing the visual display and query of the guideline content. ConclusionThe ontology of TCM clinical practice guidelines and the knowledge graph of stable angina pectoris in coronary heart disease constructed by combining the seven-step ontology construction method and Neo4j graph database technology are efficient and flexible,providing an intelligent TCM diagnosis and treatment scheme and promoting the standardization and objectification of TCM diagnosis and treatment.
5.History and Clinical Application of Classic Famous Formula Danggui Sinitang
Sihong LIU ; Siqi JIA ; Lin TONG ; Li REN ; Lei ZHANG ; Lei YANG ; Yanhui KUANG ; Deqin WANG ; Bing LI ; Huamin ZHANG
Chinese Journal of Experimental Traditional Medical Formulae 2024;30(1):53-60
Danggui Sinitang is first recorded in the Treatise on Cold Damage written by ZHANG Zhongjing in the Han dynasty. It is composed of Angelicae Sinensis Radix, Cinnamomi Ramulus, Paeoniae Radix Alba, Asari Radix et Rhizoma, Glycyrrhizae Radix et Rhizoma, Tetrapanacis Medulla, and Jujubae Fructus and serves as a classic formula for treating the syndrome of blood deficiency and cold reversal. This study systematically reviews the records of Danggui Sinitang in ancient Chinese medicine books of various dynasties and the modern clinical applications to probe into the composition, plant species, processing, dosage, decocting method, and indications of Danggui Sinitang, aiming to provide a reference for the development and clinical application of this classic formula. The review of the records showed that there were a variety of records of Danggui Sinitang with different composition, and the composition of this formula listed in the Treatise on Cold Damage has a significant impact on later generations and has been used by medical practitioners throughout history. Although the dosage of some drugs decreased during the Ming and Qing dynasties, the medical practitioners continued to use the original formula. In terms of processing, although there were slight changes in the processing of Angelicae Sinensis Radix, Paeoniae Radix Alba, Glycyrrhizae Radix et Rhizoma, and Tetrapanacis Medulla, the original processing method was inherited. In terms of indications, Danggui Sinitang was designed to treat cold reversal due to blood deficiency and dysentery. Furthermore, it was used to treat headache, convulsive disease, infantile convulsion, and private part adduction in the Ming and Qing dynasties. Nowadays, this formula is mostly used to treat diabetes peripheral neuropathy, rheumatoid arthritis, dysmenorrhea, Raynaud's disease and other diseases. In terms of precautions, ancient physicians believed that Danggui Sinitang should not be taken by pregnant women and should only be used for limb chills caused by blood deficiency and cold coagulation. For limb chills caused by other reasons, this formula should not be used indiscriminately. Modern research has not reported any serious adverse reactions related to this formula. Danggui Sinitang has a definite therapeutic effect. In subsequent research and development, quality control standards of Danggui Sinitang should be established while its safety is ensured, and the related preparations should be developed and applied.
6.Knowledge Graph Construction and Visualization Analysis of Shen Nong Ben Cao Jing Based on Named Entity Recognition
Lin TONG ; Huamin ZHANG ; Xu TONG ; Lei LEI ; Cheng WANG ; Ziling ZENG ; Hongjun YANG
Chinese Journal of Information on Traditional Chinese Medicine 2024;31(8):37-43
Objective To construct the knowledge map of Shen Nong Ben Cao Jing;To analyze basic knowledge of materia medica,explore implicit knowledge,and conduct visualization display;To provide methodological references for the study of ancient books.Methods The types of knowledge entities and relationships between entities involved in the Shen Nong Ben Cao Jing were organized and expressed.A training corpus dataset was produced using the BIO sequence labeling method;a self-developed CNLP text labeling system was used for text labeling;the BERT model was used to recognize named entities;the relationships between entities were set based on rules and semantic associations;the data were imported into the Neo4j-community 4.4.9 graph database using Cypher language for storage and visualization display after knowledge fusion;finally a knowledge graph was constructed.Results The knowledge map of Shen Nong Ben Cao Jing included 5 273 nodes and 11 064 relationships.The pattern layer contained 14 entity classes and 16 relationship types.Through Cypher language query,knowledge was visualized from the aspects of TCM classification,medicinal property theory,compatibility of seven emotions and application of TCM.Conclusion The knowledge graph constructed in this study intuitively reflects the knowledge recorded in Shen Nong Ben Cao Jing and the recessive relationship,which is suitable for knowledge mining and intuitive multi-dimensional display of ancient TCM books.
7.Clinical application of a simple traction device to colonic endoscopic submucosal dissection (with video)
Wenping WANG ; Xia LENG ; Hui CANG ; Huamin LIU ; Pengfei LIU ; Yuejun SUN ; Fangjun WANG
Chinese Journal of Digestive Endoscopy 2024;41(5):405-407
To evaluate the application value of metal clip combined with suture and rubber coil as a simple traction device in endoscopic submucosal dissection (ESD) for intestinal mucosal lesions, a total of 56 patients with early colonic cancer and precancerous lesions who received ESD in Jiangyin People's Hospital from January 2021 to July 2022 were randomly divided into the control group ( n=28, conventional ESD) and the traction group ( n= 28, suture and rubber coil as a simple traction device). The total time of ESD, mucosal dissection time, number of submucosal injections, complete resection rate and complications were compared between the two groups. The operation time of the traction group was shorter than that of the control group (74.64±33.25 min VS 117.18±35.75 min, t=4.61, P<0.001). The desection time of mucosa in the traction group was shorter than that in the control group (51.61±24.87 min VS 99.11±32.73 min, t=6.11, P<0.001). The number of submucosal injection in the traction group was less than that of the control group with significant difference (1.68±1.16 VS 4.96±1.41, t=9.57, P<0.001). There was no significant differences in operation area, complete resection rate or complication between the two groups ( P>0.05). The traction assistance technology of metal clip combined with suture and rubber coil can reduce the technical difficulty of colonic ESD and shorten the operation time.
8.Analysis of mineral and bone disorder in elderly hemodialysis patients
Xiao LIANG ; Jing YANG ; Ruifang ZHOU ; Huamin WANG
Chinese Journal of Geriatrics 2023;42(12):1411-1417
Objective:To analyze clinical data related to mineral and bone disorder(MBD)in elderly maintenance hemodialysis patients and provide a basis for the development of precise clinical treatment strategies.Methods:A total of 267 patients receiving regular hemodialysis at Beijing Huairou Hospital and Huairou District Hospital of Traditional Chinese Medicine between April 2022 and June 2022 were selected and divided into an elderly group(age≥60 years)with 129 patients and a younger group(age<60 years)with 138 patients.Patients' general information, medication use, and laboratory data including routine blood work, blood calcium, blood phosphorus, and intact parathyroid hormone were collected, and a survey questionnaire was conducted to collect data on hyperphosphatemia patients' knowledge about diet and medication use.Differences in the rate of meeting calcium and phosphorus target ranges, medication use, and questionnaire scores were compared between patients in the two groups.Results:(1)The rates of controlled Ca(2.3±0.2)mmol/L, P(1.9±0.6)mmol/L and iPTH[213.5(93.5, 359.9)ng/L]levels in the elderly group were 65.1%(84/129), 43.4%(56/129)and 51.2%(66/129), respectively.There were no statistically significant differences compared with the younger group(all P>0.05). The prevalence of hyperphosphatemia in the elderly group(66/129, 51.2%)was lower than that in the younger group(90/138, 65.2%)( χ2=5.422, P=0.020). (2)Compared with the younger group, the elderly group had lower levels of serum creatinine[(796.6±225.2)μmol/L vs.(1025.6±281.4)μmol/L], uric acid[(416.9±97.0)μmol/L vs.(445.0±106.6)μmol/L], albumin[(37.9±2.9)g/L vs.(39.0±3.0)g/L]and serum phosphorus[(1.9±0.6)mmol/L vs.(2.1±0.6)mmol/l]( t=7.289, 2.238, 2.941, 2.820, P<0.05), and a higher blood glucose level[6.9(5.2, 9.8)mmol/L vs.6.1(4.9, 8.2)mmol/l, Z=2.314, P=0.015]. (3)Compared with the younger group, the elderly group had significantly lower utilization rates of calcium-free phosphate binders[12.4%(16/129) vs.23.9%(33/138)]and calcimimetics[2.3%(3/129) vs.10.9%(15/138)]( χ2=5.895, 7.742, P<0.05, respectively). (4)Compared with the younger group, the elderly group had a lower total questionnaire score(36.8±6.6 vs.39.5±6.0), a lower hyperphosphatemia knowledge score(4.7±3.1 vs.6.0±2.8), a lower diet knowledge score(2.8±2.2 vs.4.0±1.9)and a lower medication knowledge score(2.1±1.9 vs.3.1±1.8, t=3.442, 3.694, 4.677, 4.398, respectively, P<0.05 for all), but had a higher compliance score(17.3±1.9 vs.16.4±2.4, t=3.390, P=0.001). (5)Multivariate Logistic regression analysis indicated that pre-dialysis blood urea nitrogen( OR=1.082, 95% CI: 1.011-1.159, P=0.024)and serum creatinine( OR=1.002, 95% CI: 1.001-1.005, P=0.036)were independent predictors of hyperphosphatemia in elderly hemodialysis patients. Conclusions:Compared with the younger group, the serum albumin and phosphorus levels were lower, the utilization rates of calcium-free phosphate binders and calcimimetics were lower, and the total score of the hyperphosphatemia questionnaire was also lower in the elderly group.However, the compliance score was significantly higher in the elderly group.We should focus on the relevant weak links to bolster diet education and medication management for elderly hemodialysis patients.
9.Standard on classification of Traditional Chinese Medicine ancient books
Huamin ZHANG ; Weina ZHANG ; Hongtao LI ; Yanping WANG ; Xuejie HAN ; Yuqi LIU ; Lin TONG ; Bing LI ; Sihong LIU ; Hongyan CHEN ; Zongxin WANG ; Hao QIU
International Journal of Traditional Chinese Medicine 2023;45(1):1-7
The standardization of classification methods of Traditional Chinese Medicine(TCM) ancient books can provide a clear and reliable reference for all kinds of TCM ancient books collection units, which can also promote the sharing and utilization of TCM ancient books. We studied and investigated the classification methods of TCM ancient books in past dynasties. The standard on classification of TCM ancient books was formulated by compared with the classification table of Zhongguo Zhongyi Guji Zongmu, and referred to the classification table of Zhonghua Guji Zongmu. This standard specified three-level categories and classification principles of TCM ancient books, and mainly composed of basic categories, three-level category table, classification principles and examples, and instructions for use.
10.Influence of protein energy wasting on frailty in elderly patients on maintenance hemodialysis
Yan HUANG ; Jing CHANG ; Huamin WANG ; Xiukun YIN ; Qianmei SUN
Chinese Journal of Geriatrics 2023;42(5):504-508
Objective:To explore the correlation between protein energy wasting(PEW)and frailty in elderly patients on maintenance hemodialysis(MHD)and influencing factors of frailty.Methods:Clinical data of patients over 60 who had received regular hemodialysis treatment at Beijing Huairou Hospital between September to December 2021 were collected.According to Fried's evaluation criteria, patients were divided into a frailty group and a non-frailty group, and differences between the two groups were compared.Spearman correlation analysis was conducted to assess the correlation between protein energy wasting and frailty.Logistic regression was used to analyze the influencing factors of frailty in elderly patients on MHD.Results:A total of 81 MHD patients enrolled in this study, with 36 in the frailty group.The frailty group was older, had a higher proportion of patients with PEW, and underwent more months of dialysis, with a higher proportion of patients with diabetic nephropathy as the primary disease, having high levels of C-reactive protein(CRP), and having low KT/V, hemoglobin, albumin, body mass index(BMI), mid-arm circumference(MAC)and mid-arm muscle circumference(MAMC), and the differences with the control group were statistically significant(all P<0.05). The Fried frailty phenotype was positively correlated with age( r=0.021, P=0.047), but negatively associated with HGB( r=-0.329, P=0.003), albumin( r=0.021, P=0.047), BMI( r=0.021, P=0.047), TSF( r=-0.274, P=0.013), MAC( r=-0.554, P<0.001)and MAMC( r=-0.293, P=0.008). A Logistic regression equation was constructed using frailty as the dependent variable.The results showed that age, months of dialysis, KT/V, serum albumin and CRP were independent factors influencing the development of frailty in elderly patients with MHD. Conclusions:PEW and frailty coexist and interact with each other in elderly patients with MHD.Clinicians should place emphasis on the assessment of frailty and protein energy wasting in elderly dialysis patients and achieve early detection and intervention to avoid adverse clinical outcomes.

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