1.The application strategies of non-uniform sampling in the structure elucidation of small molecule compounds—an instantiation using fuziline
Li-li ZHANG ; Ke ZHANG ; Jie LIU ; Chun-wang MENG ; Rui FENG ; Liang XIONG
Acta Pharmaceutica Sinica 2025;60(1):218-224
Two-dimensional nuclear magnetic resonance (2D NMR) is a widely used technique for structural analysis of small molecular compounds. It can obtain information about the hydrogen-hydrogen correlation, hydrogen-carbon single bond correlation, hydrogen-carbon remote correlation, and hydrogen-hydrogen spatial arrangement of compounds. Thus, 2D NMR has an irreplaceable role in the structure elucidation of small molecular products. However, the sample amount of trace components in phytochemical research is very low, and the traditional sampling method (uniform sampling) has problems of poor spectral quality and too long measure time. Increasing the number of scans results in several hours of the acquisition time for a single two-dimensional spectrum, which in turn causes strain on the NMR machine. The non-uniform sampling (NUS) technique can shorten the acquisition time to a large extent and not affect the quality of 2D NMR data, which greatly improves the efficiency of 2D NMR acquisition. In this paper, fuziline, a small molecular compound in the lateral roots of
2.Protective Effect of Tongluo Baoshen Prescription-containing Serum on Lipopolysaccharide-induced Podocyte Injury of Rats
Yongfang LIU ; Tiantian YIN ; Huiyang LIU ; Rui HUANG ; Zhiying FENG ; Li ZHOU
Chinese Journal of Experimental Traditional Medical Formulae 2025;31(10):139-148
ObjectiveTo observe the effects of Tongluo Baoshen prescription (TLBS)-containing serum on the rat podocyte injury induced by lipopolysaccharide (LPS) and explore the potential mechanisms. MethodsSD rats were used to prepare the blank serum, losartan potassium-containing serum, and low-, medium-, and high-dose TLBS-containing sera. Rat podocytes were cultured in vitro, and the effects of drug-containing sera on podocyte viability were detected by the cell counting kit-8 (CKK-8) method. The optimal intervention volume fraction of drug-containing sera and the optimal concentration of LPS for inducing the podocyte injury were determined. Rat podocytes were grouped as follows: normal control (NC, 10% blank serum), model control (MC, 20.00 mg·L-1 LPS+10% black serum), losartan potassium (LP, 20.00 mg·L-1 LPS+10% losartan potassium-containing serum), low-dose TLBS (TLBS-L, 20.00 mg·L-1 LPS+10% low-dose TLBS-containing serum), medium-dose TLBS (TLBS-M, 20.00 mg·L-1 LPS+10% medium-dose TLBS-containing serum), and high-dose TLBS (TLBS-H, 20.00 mg·L-1 LPS+10% high-dose TLBS-containing serum), and the interventions lasted for 48 h. The ultrastructure of podocytes was observed under a transmission electron microscope. The podocyte apoptosis was detected by the terminal deoxynucleoitidyl transferase mediated nick-end labeling (TUNEL) kit. Immunofluorescence was used to detect the expression of gasdermin D N-terminal fragment (GSDMD-NT) in podocytes. The mRNA and protein levels of G protein-coupled receptor family C group 5 member B (GPRC5B), nuclear factor-κB (NF-κB) p50, NF-κB p52, NF-κB p65, Rel B, c-Rel, NOD-like receptor protein 3 (NLRP3), cysteinyl aspartate-specific protease-1 (Caspase-1), GSDMD-NT, interleukin (IL)-1β, IL-18, nephrin, integrin α3, and integrin β1 in podocytes were determined by real-time quaritiative polymerase chain reaction (Real-time PCR) and Western blot, respectively. ResultsCompared with the NC group, the MC group showed reduced podocyte protrusions and organelles, segmental missing of cell membranes, increased and swollen mitochondria, irregular nuclear membranes, light chromatin, increased TUNEL fluorescence-positive nuclei (P<0.01), obviously enhanced fluorescence intensity of GSDMD-NT, up-regulated mRNA and protein levels of GPRC5B, NF-κB p50, NF-κB p52, NF-κB p65, Rel B, c-Rel, NLRP3, caspase-1, GSDMD-NT, IL-1β, and IL-18 (P<0.01), and down-regulated mRNA and protein levels of nephrin, integrin α3, and integrin β1 (P<0.01) in podocytes. Compared with the MC group, the LP, TLBS-M, and TLBS-H groups showed improved ultrastructure of podocytes with increased protrusions, intact cell membranes, reduced organelles, and alleviated mitochondrial swelling, decreased TUNEL fluorescence-positive nuclei (P<0.01), weakened fluorescence intensity of GSDMD-NT, down-regulated mRNA and protein levels of GPRC5B, NF-κB p50, NF-κB p52, NF-κB p65, Rel B, c-Rel, NLRP3, caspase-1, GSDMD-NT, IL-1β, and IL-18 (P<0.01), and up-regulated mRNA and protein levels of nephrin, integrin α3, and integrin β1 (P<0.05, P<0.01). Moreover, the changes above were the most obvious in the TLBS-H group. ConclusionThe TLBS-containing serum can regulate the GPRC5B/NF-κB/NLRP3 pathway to inhibit pyroptosis, thereby ameliorating the podocyte injury induced by LPS.
3.Role of ATG12 in The Development of Disease
Wei LIU ; Rui TIAN ; Ce-Fan ZHOU ; Jing-Feng TANG
Progress in Biochemistry and Biophysics 2025;52(5):1081-1098
Autophagy, a highly conserved cellular degradation mechanism, maintains intracellular homeostasis by removing damaged organelles and abnormal proteins. Its dysregulation is closely associated with various diseases. Autophagy-related protein 12 (ATG12), a core member of the ubiquitin-like protein family, covalently binds to ATG5 through a ubiquitin-like conjugation system to form the ATG12-ATG5-ATG16L1 complex. This complex directly regulates the formation and maturation of autophagosomes, making ATG12 a key molecule in the initiation of autophagy. Recent studies have revealed that ATG12 functions extend far beyond the classical autophagy context. It promotes apoptosis by binding to anti-apoptotic proteins of the Bcl-2 family (e.g., Bcl-2 and Mcl-1) and enhances host antiviral immunity by regulating the NF-κB and interferon signaling pathways. Moreover, ATG12 deficiency can lead to mitochondrial biogenesis impairment, energy metabolism disorders, and substrate-dependent metabolic shifts, underscoring its pivotal role in cellular metabolic homeostasis. At the disease level, dysregulation of ATG12 expression is closely linked to tumorigenesis and cancer progression. By modulating the dynamic balance between autophagy and apoptosis, ATG12 influences cancer cell proliferation, metastasis, and chemoresistance. Notably, ATG12 is abnormally overexpressed in multiple cancers, including breast, liver, and gastric cancer, highlighting its potential as a therapeutic target. Furthermore, in neurodegenerative diseases such as Parkinson’s disease, ATG12 mitigates protein toxicity by enhancing mitochondrial autophagy. In cardiovascular diseases, it alleviates ischemia-reperfusion injury by regulating cardiomyocyte autophagy and apoptosis, demonstrating its broad regulatory role across various pathological conditions. Genetic studies further underscore the clinical significance of ATG12. Polymorphisms in the ATG12 gene (e.g., rs26537 and rs26538) have been significantly associated with the risk of head and neck squamous cell carcinoma, hepatocellular carcinoma, and atrophic gastritis. Notably, the risk allele of rs26537 enhances ATG12 promoter activity, leading to its overexpression and promoting tumorigenesis. These findings provide a molecular basis for individualized risk assessment and targeted interventions based on ATG12 genotype. Despite significant progress, many aspects of ATG12 biology remain unclear. The precise regulatory mechanisms of its post-translational modifications (e.g., ubiquitination and acetylation) are yet to be fully elucidated. Additionally, the molecular pathways underlying its non-canonical functions, such as metabolic regulation and immune modulation, require further investigation. Moreover, the functional heterogeneity of ATG12 in different tumor microenvironments and its role in drug resistance warrant in-depth exploration. Future research should integrate advanced technologies such as cryo-electron microscopy, single-cell sequencing, and organoid models to decipher the intricate regulatory network of ATG12. Additionally, developing small-molecule inhibitors or gene-editing tools targeting its protein interaction interfaces (e.g., the ATG12-ATG3 binding domain) may help overcome current therapeutic challenges. Through interdisciplinary collaboration and clinical translation, ATG12 holds promise as a next-generation molecular target for precision intervention in autophagy-related diseases. This review summarizes the structure and function of ATG12, its role in autophagy initiation, its physiological functions, and its involvement in disease pathogenesis. Furthermore, it discusses future research directions and potential challenges, emphasizing ATG12’s potential as a biomarker and therapeutic target in autophagy-related diseases.
4.Characteristic volatile organic compounds in exhaled breath of coal workers' pneumoconiosis patients by thermal desorption gas chromatography-mass spectrometry
Yazhen HE ; Chunguang DING ; Junyun WANG ; Yuzhen FENG ; Fangda PENG ; Gaisheng LIU ; Fan YANG ; Chunmin ZHANG ; Rui GAO ; Qingyu MENG ; Zhijun WU ; Jingguang FAN
Journal of Environmental and Occupational Medicine 2025;42(5):571-577
Background Coal workers' pneumoconiosis is a serious occupational disease in China. Exhaled volatile organic compounds (VOCs) can serve as the "breath fingerprint" of internal pathological processes, which provides a theoretical basis for exhaled VOCs to be used as potential non-invasive biomarkers for early diagnosis of coal workers' pneumoconiosis. Objective To screen out the characteristic VOCs and important characteristic VOCs of exhaled air in patients with coal workers' pneumoconiosis, and to explore the potential of these VOCs as biomarkers for early non-invasive diagnosis of the disease. Methods In this study, 27 VOCs in the exhaled breath of 22 patients with stage I coal workers' pneumoconiosis, 77 workers exposed to dust, and 92 healthy controls were quantitatively detected by thermal desorption gas chromatography-mass spectrometry (TD-GC-MS). Substances with P<0.05 in univariate analysis and variable importance projection (VIP) >1 in supervised orthogonal partial least squares discriminant analysis (OPLS-DA) model were selected as the characteristic VOCs for early diagnosis of coal workers' pneumoconiosis. Age was included in the LASSO regression model as a covariate to screen out important characteristic VOCs, and the diagnostic performance was evaluated by receiver operating characteristic (ROC) curve. Spearman correlation was further used to explore the correlation between important characteristic VOCs and clinical lung function indicators. Results Through univariate analysis and OPLS-DA modeling, 8 VOCs were selected, including 2-methylpentane, 3-methylpentane, n-hexane, methylcyclopentane, n-heptane, methylcyclohexane, 4-methyl-2-pentanone, and 2-hexanone, in exhaled breath of patients with coal workers' pneumoconiosis. The concentrations of 4 VOCs, including 3-methylpentane, n-hexane, 4-methyl-2-pentanone, and 2-hexanone, showed a decreasing trend with the increase of dust exposure years. By LASSO regression, the important characteristic VOCs of the coal workers' pneumoconiosis group and the dust exposure group were n-hexane, methylcyclohexane and 4-methyl-2-pentanone, and the important characteristic VOCs of the coal workers' pneumoconiosis group and the healthy group were 2-methyl-pentane and 4-methyl-2-pentanone. The ROC analysis showed that the area under the curve (AUC) of n-hexane, methylcyclohexane, and 4-methyl-2-pentanone were 0.969, 0.909, and 0.956, respectively, and the AUC of combined diagnosis was 0.988 and its Youden index was 0.961, suggesting that these results can serve as a valuable reference for further research on early diagnosis. The Correlation analysis found that there was a positive correlation between n-hexane and lung function indicators in the important characteristic VOCs, indicating that it could indirectly reflect the obstruction of lung function ventilation, further proving that important characteristic VOCs have the potential to monitor lung function decline. Conclusion Three important characteristic VOCs selected in this study have the potential to be used as non-invasive biomarkers for early diagnosis and disease monitoring of coal workers' pneumoconiosis, and are worthy of further study and verification.
5.Construction and application of the "Huaxi Hongyi" large medical model
Rui SHI ; Bing ZHENG ; Xun YAO ; Hao YANG ; Xuchen YANG ; Siyuan ZHANG ; Zhenwu WANG ; Dongfeng LIU ; Jing DONG ; Jiaxi XIE ; Hu MA ; Zhiyang HE ; Cheng JIANG ; Feng QIAO ; Fengming LUO ; Jin HUANG
Chinese Journal of Clinical Thoracic and Cardiovascular Surgery 2025;32(05):587-593
Objective To construct large medical model named by "Huaxi HongYi"and explore its application effectiveness in assisting medical record generation. Methods By the way of a full-chain medical large model construction paradigm of "data annotation - model training - scenario incubation", through strategies such as multimodal data fusion, domain adaptation training, and localization of hardware adaptation, "Huaxi HongYi" with 72 billion parameters was constructed. Combined with technologies such as speech recognition, knowledge graphs, and reinforcement learning, an application system for assisting in the generation of medical records was developed. Results Taking the assisted generation of discharge records as an example, in the pilot department, after using the application system, the average completion times of writing a medical records shortened (21 min vs. 5 min) with efficiency increased by 3.2 time, the accuracy rate of the model output reached 92.4%. Conclusion It is feasible for medical institutions to build independently controllable medical large models and incubate various applications based on these models, providing a reference pathway for artificial intelligence development in similar institutions.
6.Construction of the management index system for the management of off-label drug use in the hospital based on Delphi method
Li LIU ; ZEBI ; DANZENGLAJI ; Rui LIU ; Feng WANG ; Yang HU ; Wei ZUO
China Pharmacy 2025;36(17):2182-2186
OBJECTIVE To establish a management index system for off-label drug use in medical institutions, offering a reference for the improvement of the management of off-label drug use in medical institutions from Xizang region. METHODS The framework of the management index of off-label drug use was initially developed based on regulations, literature retrieval and group discussion. Then,two rounds of Delphi consultation were conducted via the “Wenjuanxing” mobile mini-program involving 10 in-hospital experts from the fields of medicine, pharmacy, and hospital management. The consultation results were then sorted, revised and statistically analyzed, the final index system was established. RESULTS The questionnaire recovery rates of the two rounds of expert consultation were both 100%. The judgment coefficients were both 0.93, the familiarity degrees were both 0.74, and the authority coefficients were 0.84 in both rounds. Kendall’s coordination coefficients were 0.278 and 0.308, respectively (P< 0.001), and the full score rates in both rounds were no less than 20%. The final management index system for off-label drug use in the hospital was established, including 3 first-level indicators(off-label drug use graded management regulations, off-label drug use supervision model, off-label drug use management level quantitative assessment system), 14 second-level indicators (such as management level classification and key points of informed consent, etc.), and 52 third-level indicators(such as general use level, restricted-use level, and special-use level, etc.). CONCLUSIONS The management indicators for off-label drug use developed in this study, which are established based on Delphi method, are aligned with practical needs of hospital operations and meet the standards of expert enthusiasm, authority, and consistency.
7.Identification, expression and protein interaction analysis of Aux/IAA and ARF gene family in Senna tora L.
Zhao FENG ; Shi-peng LIU ; Rui-hua LÜ ; Rui-hua LÜ ; Xiao-chen HU ; Ming-ying ZHANG ; Ren-jun MAO ; Gang ZHANG
Acta Pharmaceutica Sinica 2024;59(3):751-763
The early response of plant auxin gene family
8.Research progress on hidden absenteeism of nurses in China
Jiayi LIU ; Mingguang ZHANG ; Rui WANG ; Hongfei REN ; Xianqiong FENG
Chongqing Medicine 2024;53(2):302-305,320
Hidden absenteeism refers to the behavior of employees who insist on going to work even when they are in poor health,but its work efficiency is low and affects the productivity.This paper reviews and sorts out the related researches on hidden absenteeism of nurses in China,expounds the definition of the con-cept of hidden absenteeism,evaluation tools,current situation and influencing factors of hidden absenteeism of nurses in China,and puts forward the suggestions on the countermeasures of hidden absenteeism,in order to provide reference for nursing managers in China on the management of hidden absenteeism.
9.Effect of cardiac rehabilitation nursing on cardiac function of patients with acute myocardial infarction after percutaneous coronary intervention:a meta-analysis
Ning LI ; Rui SONG ; Jing LIU ; Ting FENG
Chinese Journal of cardiovascular Rehabilitation Medicine 2024;33(1):1-5
Objective:To assess the effect of cardiac rehabilitation nursing mode on cardiac function in patients with acute myocardial infarction(AMI)after percutaneous coronary intervention(PCI)with a systematic review meth-od.Methods:We searched databases,including CNKI,VIP,Wanfang,CBM,PubMed,Embase etc.,for literature on influence of cardiac rehabilitation on cardiac function in AMI patients after PCI before Jan 2023.Eligible ran-domized controlled tests(RCTs)were screened.Results:A total of 11 studies were enrolled and the results indicated that compared with control group,there were significant rise in left ventricular ejection fraction(MD=5.26,95%CI(3.70,6.82),P=0.001),6min walking distance(MD=61.02,95%CI(27.43,94.62),P=0.001),peak ox-ygen uptake(VO2,MD=3.64,95%CI(2.38,4.90),P=0.001)and anaerobic threshold(AT,MD=3.08,95%CI(1.47,4.69),P=0.001),and significant reductions in left ventricular end-systolic diameter(MD=-1.83,95%CI(-2.36,-1.30),P=0.001)and left ventricular end-diastolic diameter(MD=-3.43,95%CI(-5.01,-1.85),P=0.001)in cardiac rehabilitation group.Conclusion:Cardiac rehabilitation nursing can signifi-cantly improve cardiac function,exercise endurance and quality of life in patients with acute myocardial infarction after PCI.However,due to high heterogeneity of some indexes,further evaluation is still needed.
10.Recent advances in small-molecule inhibitors targeting influenza virus RNA-dependent RNA polymerase
Hui-nan JIA ; Rui-fang JIA ; Ji-wei ZHANG ; Yuan-min JIANG ; Chuan-feng LIU ; Ying ZHANG ; Xin-yong LIU ; Peng ZHAN
Acta Pharmaceutica Sinica 2024;59(1):43-60
Influenza virus causes serious threat to human life and health. Due to the inherent high variability of influenza virus, clinically resistant mutant strains of currently approved anti-influenza virus drugs have emerged. Therefore, it is urgent to develop antiviral drugs with new targets or mechanisms of action. RNA-dependent RNA polymerase is directly responsible for viral RNA transcription and replication, and plays key roles in the viral life cycle, which is considered an important target of anti-influenza drug design. From the point of view of medicinal chemistry, this review summarizes current advances in diverse small-molecule inhibitors targeting influenza virus RNA-dependent RNA polymerase, hoping to provide valuable reference for development of novel antiviral drugs.

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