1.Multivariate quantitative combined with chemometrics for evaluating the quality of Sophora flavescens from different producing areas
Jiahui CHEN ; Qiong LUO ; Junli ZHAO ; Yan HAI ; Chengdong LIU ; Tuya BAI ; Jun LI ; Yuewu WANG
China Pharmacy 2025;36(19):2404-2408
OBJECTIVE To establish a content determination method for multiple components in Sophora flavescens from different origins and to evaluate its quality by combining with chemometrics. METHODS Thirteen batches (No. K1-K13) of S. flavescens from different origins were selected as test samples. A high-performance liquid chromatography-tandem triple quadrupole mass spectrometry (HPLC-MS/MS) method was established to determine the contents of 12 components, including matrine, oxymatrine, betaine, cytisine, N-methylcytisine, sophoridine, genistein, sophoricoside, sophorone, formononetin, sophorolone Ⅰ and norkurarinone in S. flavescens. Chromatographic separation was performed on a Shim-pack GIST-HP C18 column with a mobile phase consisting of methanol (A) and water containing 0.1% formic acid (B), using gradient elution at a flow rate of 0.25 mL/min, column temperature of 35 ℃, and an injection volume of 3 μL. Mass spectrometry was conducted using an electrospray ionization source with positive and negative ion scanning. Data were collected in segments using the multiple reaction monitoring mode. Technique for order preference by similarity to ideal solution (TOPSIS) and grey relational analysis (GRA)methods were employed to compare and comprehensively evaluate the 13 batches of S. flavescens from different origins. RESULTS The methodological validation for the content determination met the relevant regulatory requirements. The contents of the 12 components were 490.66-1 231.00, 11 088.10- 18 021.50, 7.91-25.38, 903.97-1 713.64, 336.08-1 485.54,1 065.33-2 075.50, 27.52-71.80, 109.36-517.83, 6 034.55-10 632.73, 21.26-145.35, 814.84-1 911.32, 1 040.87-3 446.37 μg/g), respectively. TOPSIS results showed that the top 7 samples in Euclidean distance ranking were K6, K12, K11, K3, K5, K10, K13. The GRA results showed that the top 7 samples in the relative correlation ranking were K12, K11, K10, K6, K13, K5, K3. CONCLUSIONS The established HPLC-MS/MS method is rapid, accurate, highly sensitive, stable and reliable. Combined with chemometrics methods, it can be used for the quality control and evaluation of S. flavescens. The comprehensive quality of samples K3, K5, K6( from Hebei), K10( from Sichuan), K11-K13( from Shanxi), etc. is relatively superior.
2.Artificial intelligence-enabled discovery of a RIPK3 inhibitor with neuroprotective effects in an acute glaucoma mouse model.
Xing TU ; Zixing ZOU ; Jiahui LI ; Simiao ZENG ; Zhengchao LUO ; Gen LI ; Yuanxu GAO ; Kang ZHANG
Chinese Medical Journal 2025;138(2):172-184
BACKGROUND:
Retinal ganglion cell (RGC) death caused by acute ocular hypertension is an important characteristic of acute glaucoma. Receptor-interacting protein kinase 3 (RIPK3) that mediates necroptosis is a potential therapeutic target for RGC death. However, the current understanding of the targeting agents and mechanisms of RIPK3 in the treatment of glaucoma remains limited. Notably, artificial intelligence (AI) technologies have significantly advanced drug discovery. This study aimed to discover RIPK3 inhibitor with AI assistance.
METHODS:
An acute ocular hypertension model was used to simulate pathological ocular hypertension in vivo . We employed a series of AI methods, including large language and graph neural network models, to identify the target compounds of RIPK3. Subsequently, these target candidates were validated using molecular simulations (molecular docking, absorption, distribution, metabolism, excretion, and toxicity [ADMET] prediction, and molecular dynamics simulations) and biological experiments (Western blotting and fluorescence staining) in vitro and in vivo .
RESULTS:
AI-driven drug screening techniques have the potential to greatly accelerate drug development. A compound called HG9-91-01, identified using AI methods, exerted neuroprotective effects in acute glaucoma. Our research indicates that all five candidates recommended by AI were able to protect the morphological integrity of RGC cells when exposed to hypoxia and glucose deficiency, and HG9-91-01 showed a higher cell survival rate compared to the other candidates. Furthermore, HG9-91-01 was found to protect the retinal structure and reduce the loss of retinal layers in an acute glaucoma model. It was also observed that the neuroprotective effects of HG9-91-01 were highly correlated with the inhibition of PANoptosis (apoptosis, pyroptosis, and necroptosis). Finally, we found that HG9-91-01 can regulate key proteins related to PANoptosis, indicating that this compound exerts neuroprotective effects in the retina by inhibiting the expression of proteins related to apoptosis, pyroptosis, and necroptosis.
CONCLUSION
AI-enabled drug discovery revealed that HG9-91-01 could serve as a potential treatment for acute glaucoma.
Animals
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Glaucoma/metabolism*
;
Neuroprotective Agents/pharmacology*
;
Mice
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Receptor-Interacting Protein Serine-Threonine Kinases/metabolism*
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Artificial Intelligence
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Retinal Ganglion Cells/metabolism*
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Disease Models, Animal
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Molecular Docking Simulation
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Mice, Inbred C57BL
;
Male
3.Memory Reconsolidation Updating in Substance Addiction: Applications, Mechanisms, and Future Prospects for Clinical Therapeutics.
Shihao HUANG ; Xiaoxing LIU ; Zhonghao LI ; Yue SI ; Liping YANG ; Jiahui DENG ; Yixiao LUO ; Yan-Xue XUE ; Lin LU
Neuroscience Bulletin 2025;41(2):289-304
Persistent and maladaptive drug-related memories represent a key component in drug addiction. Converging evidence from both preclinical and clinical studies has demonstrated the potential efficacy of the memory reconsolidation updating procedure (MRUP), a non-pharmacological strategy intertwining two distinct memory processes: reconsolidation and extinction-alternatively termed "the memory retrieval-extinction procedure". This procedure presents a promising approach to attenuate, if not erase, entrenched drug memories and prevent relapse. The present review delineates the applications, molecular underpinnings, and operational boundaries of MRUP in the context of various forms of substance dependence. Furthermore, we critically examine the methodological limitations of MRUP, postulating potential refinement to optimize its therapeutic efficacy. In addition, we also look at the potential integration of MRUP and neurostimulation treatments in the domain of substance addiction. Overall, existing studies underscore the significant potential of MRUP, suggesting that interventions predicated on it could herald a promising avenue to enhance clinical outcomes in substance addiction therapy.
Humans
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Substance-Related Disorders/psychology*
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Memory Consolidation/physiology*
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Animals
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Extinction, Psychological/physiology*
4.Role of traditional Chinese medicine concepts in the prevention of childhood caries.
Jin SUN ; Jiahui HE ; Qian CHEN ; Wei LUO
West China Journal of Stomatology 2025;43(4):486-492
The high prevalence of childhood caries poses a considerable threat to children's overall health. Traditional Chinese medicine (TCM) concepts offers a distinctive and valuable perspective on caries prevention. This study explores TCM's conceptualization of dental caries in relation to the physiological characteristics of children and proposes targeted preventive strategies, including holistic care, dietary regulation, and lifestyle modification. In addition, the study highlights the role of traditional modalities, such as Chinese herbal medicine, acupuncture, moxibustion, and tuina, in caries prevention, while emphasizing the importance of supporting children's mental health. The integration of TCM with modern medical practices holds promise for advancing research into the prevention and treatment of caries. Furthermore, promoting the overall improvement of children's health.
Dental Caries/prevention & control*
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Humans
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Medicine, Chinese Traditional
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Child
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Acupuncture Therapy
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Moxibustion
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Life Style
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Drugs, Chinese Herbal/therapeutic use*
5.Present situation and hotspots of KM mouse research based on the CiteSpace map of scientific knowledge
Jiahui YANG ; Meng LIN ; Songren YU ; Xiaoquan LUO
Acta Laboratorium Animalis Scientia Sinica 2024;32(1):80-91
Objective The present situation and hotspots of KM mouse research were visualized by CiteSpace software,which provided a reference for breaking through the bottleneck of KM mouse research and finding new ideas in China.Methods A total of 3981 articles were retrieved from CNKI and Web of Science databases from January 1,2004 to June 10,2023,of which the number of publications,countries(regions),institutions,author cooperation network,keyword co-occurrence,clustering,burst words,and cited English literature for analysis.Results The number of documents published in Chinese was decreased and the number of documents published in English was increased gradually in KM mouse research.The three countries with the most published articles were China,the United States,and Japan,where the leading research institutions were the China Agricultural University,Chinese Academy of Sciences,and Nanjing University of Chinese Medicine.The main authors at home and abroad were Liu Weihui,Li Guangwu,and Zhao Xin.The domestic research focused on the toxicology,immunology,and reproduction of KM mouse,and the foreign research focused on the cell biology and physiology of KM mouse.Conclusions KM mouse have been used and popularized in our country for more than 70 years,mainly focusing on toxicology,immunology,and reproduction.Although the use of KM mouse has led tove made allowed some achievements in experiments,certain it is necessary to solve their problems in the future,such as the standardization of population breeding,the discovery of the dominant research fields,and the further promotion of animal ethics,should be resolved.
6.Research status and trend of depression models in animals:a bibliometric analysis based on CiteSpace
Jiahui YANG ; Xiaoquan LUO ; Meng LIN ; Tao LUO ; Meifu GONG
Chinese Journal of Comparative Medicine 2024;34(2):72-78
Objective Using literature metrology,scientific literature in the field of depression models in animals was analyzed to better understand the development trends and hot topics in this field.Methods We obtained publications on depression and animal models from 2013 to 2022 from the Web of Science core set database.CiteSpace 6.1 R1(64-bit)Basic was used to analyze annual publications,countries,institutions,authors,and keywords related to this field.Results A total of 1000 articles were included in this study.From 2013 to 2022,the number of articles published increased gradually and then stabilized.In terms of the number of articles,the United States had the most published articles(256).Wegener Gregers was the most influential author in the field with 23 published articles.Conclusions The field focuses on signaling pathways and therapeutic approaches to determine the pathogenesis of depression and better treatments.This study provides a visual analysis of trends in depression research to help researchers keep up with the latest developments.
7.Disease burden and three-grade prevention of cancer in China
Chenyu LUO ; Yueyang ZHOU ; Na LI ; Jiahui LUO ; Yuhan ZHANG ; Bin LU ; Hongda CHEN ; Min DAI
Chinese Journal of Epidemiology 2024;45(5):621-625
Cancer is one of the leading causes of morbidity and mortality worldwide. Due to population aging, lifestyle variation and other factors, the morbidity and mortality of cancer continue to rise in China, resulting in a serious public health problem threating people's health. In response to this increasingly serious problem, tremendous efforts have been made in China, including the development of a series of policies and measures for specific needs of cancer prevention and treatment. Currently, China's strategy to reduce the disease burden of cancer mainly focuses on primary and secondary prevention. This paper summarizes the current status of disease burden of cancer and the performance of three-grade cancer prevention in China.
8.Epidemiological characteristics and drug resistance of diarrheagenic Escherichia coli infection in diarrhea patients in Shanghai, 2016-2022
Jun FENG ; Jiahui XIA ; Yuan ZHUANG ; Zhen XU ; Jiayuan LUO ; Yong CHEN ; Jiayi FEI ; Yitong WU ; Huanyu WU ; Xin CHEN ; Jing ZHANG ; Min CHEN
Chinese Journal of Epidemiology 2024;45(7):969-976
Objective:To understand the infection status, epidemiological characteristics and drug resistance of Diarrheagenic Escherichia coli (DEC) in Shanghai and provide evidence for the disease surveillance. Methods:The epidemiological data of diarrhea cases in Shanghai from 2016 to 2022 were collected from Shanghai Diarrhea Comprehensive Surveillance System, and stool samples were collected from the cases for DEC detection. The drug resistance data was obtained from Chinese Pathogen Identification Network. Statistical analysis was conducted by using χ2 and fisher test. Results:In 24 883 diarrhea cases detected during 2016-2022, the DEC positive rate was 9.13% (2 271/24 883), the single DEC positive rate was 8.83% (2 197/24 883) and the mixed DEC positive rate was 0.30% (74/24 883). The main type of DEC was Enterotoxigenic Escherichia coli (ETEC) [4.33% (1 077/24 883)]. The DEC positive rate was highest in people aged ≤5 years 18.48% (22/119). The annual peak of DEC positive rate was observed during July - September [5.91% (1 470/24 883)]. The DEC positive rate were 9.47% (554/5 847) and 9.02% (1 717/19 036) in urban area and in suburbs, respectively, Enteroaggregative Escherichia coli (EAEC) [3.98% (233/5 847)] and ETEC [4.56% (868/19 036)] were mainly detected. From 2016 to 2019, the DEC positive rate was 9.42% (1 821/19 330), while it was 8.10% (450/5 553) from 2020 to 2022, the main DEC types were ETEC (4.87%, 941/19 330) and EAEC (4.70%, 261/5 553). The multi-drug resistance rate was 40.21% (618/1 537). The top three antibiotics with high drug resistance rates were ampicillin [64.74% (995/1 537)], nalidixic acid [58.49% (899/1 537)] and tetracycline [45.09% (693/1 537)]. Conclusions:Compared with 2016- 2019, a decrease in DEC detection rate was observed during 2020-2022, and the main type of DEC detected shifted from ETEC to EAEC. The prevalence of multi-drug resistance was severe. Therefore, it is necessary to further strengthen the surveillance for DEC drug resistance and standardize the use of clinical antibiotics.
9.Clinical discussion on the application of invigorating spleen and benefiting qi and controlling blood method for the treatment of cancer therapy-related thrombopenia
Xiang YAN ; Mei LUO ; Jiahui YU ; Yayue ZHANG ; Shaodan TIAN ; Xinyi CHEN ; Menghao LAN
Journal of Beijing University of Traditional Chinese Medicine 2024;47(6):808-812
Cancer therapy-related thrombopenia,which is called"medicinal poison purpura"in tradi-tional Chinese medicine,is a common hematologic adverse reaction during oncology treatment that is dif-ficult to treat due to the differences in oncology treatments and the complexity of the pathogenesis,resul-ting in various degrees of thrombocytopenia.Based on the theory that"spleen controlling blood",this pa-per believes that"medicinal poison purpura"is mainly caused by direct damage to the blood and qi by medicinal poison,leading to qi and blood deficiency;it also attacks the spleen and stomach,resulting in the deficiency of spleen qi and no source of qi and blood production.Due to the spleen deficiency,there is no essence to nourish kidney and bone marrow;their function of generating blood decreases,eventually it becomes"medicinal poison purpura".The theory of"regulating balance and flat regulation"is an im-portant academic idea of our team in the treatment of malignant hematological tumors.In this paper,we have systematically elaborated on the etiology,pathogenesis,and therapeutic principles of the treatment of cancer therapy-related thrombopenia with spleen deficiency pattern through the collation of relevant lit-erature.We believe that the prescription formulated according to the method of invigorating spleen and benefiting qi and controlling blood for the treatment of cancer therapy-associated thrombocytopenia with spleen deficiency pattern is in line with the principle of correspondence between prescription and syn-drome,and correspondence between drugs and syndrome in traditional Chinese medicine,which is theo-retically feasible and has a high clinical application value.
10.Analysis and literature review of intracavitary operation for calyceal diverticulum calculi
Yong LUO ; Ming CHEN ; Guangyang LIU ; Huajian SU ; Jiahui TANG ; Qingfeng YU ; Ming LEI
Journal of Modern Urology 2024;29(8):696-698
Objective To analyze the efficacy of different intracavitary operations for calyceal diverticulum calculi,so as to provide reference for the diagnosis and treatment of such disease.Methods A retrospective analysis of the data of 21 patients with calyceal diverticulum calculi was conducted during Jan.2015 and Dec.2021.The patients were divided into the retrograde intrarenal surgery(RIRS,n=14)group and percutaneous nephrolithotomy(PCNL,n=7)group.The perioperative data were compared.Results There was no significant difference in stone load between the RIRS group and PCNL group[(11.56±4.79)mm vs.(13.06±6.27)mm,P=0.609].There were significant differences in the thickness of renal parenchyma at the top of the diverticulum[(10.08±4.81)mm vs.(5.24±2.23)mm,P=0.005],operation time[(58.57±19.23)min vs.(88.29±25.28)min,P=0.007],hospitalization time[3(1,5)vs.12(5,7),P=0.023]days.After operation,there were no significant differences in stone-clearance rate,decrease of hemoglobin,and postoperative complications between the two groups(P>0.05).Conclusion Both RIRS and PCNL are viable options for treating renal calyceal diverticulum calculi.RIRS has advantages of shorter operation time and hospital stay.PCNL can be an alternative treatment when RIRS is unsuccessful.

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