1.RCAN-DDI: Relation-aware cross adversarial network for drug-drug interaction prediction.
Yuanyuan ZHANG ; Xiaoyu XU ; Baoming FENG ; Haoyu ZHENG ; Ci'ao ZHANG ; Wentao XU ; Zengqian DENG
Journal of Pharmaceutical Analysis 2025;15(9):101159-101159
Drug-drug interaction (DDI) refers to the interaction between two or more drugs in the body, altering their efficacy or pharmacokinetics. Fully considering and accurately predicting DDI has become an indispensable part of ensuring safe medication for patients. In recent years, many deep learning-based methods have been proposed to predict DDI. However, most existing computational models tend to oversimplify the fusion of drug structural and topological information, often relying on methods such as splicing or weighted summation, which fail to adequately capture the potential complementarity between structural and topological features. This loss of information may lead to models that do not fully leverage these features, thus limiting their performance in DDI prediction. To address these challenges, we propose a relation-aware cross adversarial network for predicting DDI, named RCAN-DDI, which combines a relationship-aware structure feature learning module and a topological feature learning module based on DDI networks to capture multimodal features of drugs. To explore the correlations and complementarities among different information sources, the cross-adversarial network is introduced to fully integrate features from various modalities, enhancing the predictive performance of the model. The experimental results demonstrate that the RCAN-DDI method outperforms other methods. Even in cases of labelled DDI scarcity, the method exhibits good robustness in the DDI prediction task. Furthermore, the effectiveness of the cross-adversarial module is validated through ablation experiments, demonstrating its superiority in learning multimodal complementary information.
2.Development and application of chemical reference materials
Yanchun FENG ; Wenli PEI ; Baoming NING ; Jifeng SHI
Journal of China Pharmaceutical University 2024;55(5):715-720
Chemical reference material(CRM)is an important material basis in the process of chemical drug research and development and quality control.This paper introduces the definition and classification of CRMs;the domestic and international regulations and guidelines for the research and development,production,management and use of CRMs by pharmaceutical companies and authoritative CRM issuing organizations;the common preparation methods and key technologies of CRM raw materials;and the technical requirements for the selection of raw materials for different types of CRMs.In addition,this paper also introduces the routine development process and data requirements for the candidate raw material to become a CRM after chemical structure verification,physical and chemical property analysis,homogeneity assessment,stability monitoring,and assignment.It also introduces the classical assignment method,mass balance method,in detail,to provide users of CRMs and the developers of new drugs with some technical references related to the development,application and management of CRMs in China.
3.Emergency single drainage tube and dual target thalamic hematoma ventricular drainage surgery based on body surface marker localization for the treatment of thalamic hemorrhage breaking into the ventricle with hydrocephalus
Baoming JIA ; Jiankai ZHAO ; Lizhen WANG ; Xiguang ZHOU ; Hongsha PEI ; Yanli ZHANG ; Guo-Qiang FENG ; Hongbin KU
Chinese Journal of Nervous and Mental Diseases 2024;50(1):23-29
Objective To explore the application value of emergency temporal body surface positioning for single drain dual-target thalamic hematoma ventricular drainage in the treatment of thalamic hemorrhage breaking into ventricle with hydrocephalus.Methods A retrospective analysis was conducted on 223 patients with thalamic hemorrhage breaking into the ventricles with hydrocephalus,including a study group of 115 cases who underwent emergency single drain dual-target thalamic hematoma ventricular drainage surgery with temporal body surface positioning,and a control group of 108 cases who underwent emergency ventricular drainage first and then underwent stereotactic thalamic hematoma drainage surgery after the condition stabilized.Compare the differences in postoperative complications and treatment outcomes between two groups of patients,and evaluate the application value of temporal surface positioning for single drain dual-target thalamic hematoma ventricular drainage surgery in the treatment of thalamic hemorrhage breaking into the ventricle with hydrocephalus.Results The postoperative rebleeding rates,hematoma clearance and death were 5.2%,87.5%±7.3%and 13.9%in the study group and 4.7%,90.2%±8.5%and 15.7%in control group,respectively.There was no significant difference between the two groups(P>0.05).The tube time,postoperative intracranial infection,Shunt dependent hydrocephalus,effective treatment and favorable prognosis of and the control group were(75.5±18.4)h,3.5%,19.1%,53.9%and 51.3%in the study group and(130.8±22.9)h,13.9%,35.1%,38.7%and 38.0%,respectively.The difference between the two groups was statistically significant(P<0.05).Conclusion Body surface landmark-guided emergency single drain dual-target thalamic hematoma ventricular drainage surgery for the treatment of thalamic hemorrhage breaking into the ventricle with hydrocephalus is safe and reliable,and can improve the patient's prognosis.
4.Comparison of short-term outcomes between fluorescence method versus modified inflation-deflation method on thoracoscopic anatomical segmentectomy: a study based on propensity score matching
Baoming WANG ; Feng WU ; Dongchun MA ; Mingming WANG ; Tangbin LIU ; Congshu HUA ; Chaodong ZHANG ; Wensheng WANG ; Xiang DING ; Jian ZHAO ; Chen DAI
Chinese Journal of Thoracic and Cardiovascular Surgery 2023;39(3):134-141
Objective:To investigate the application value of fluorescence imaging in single-port thoracoscopic anatomic segmentectomy.Methods:The clinical data of 280 patients (145 patients with fluorescence method and 135 patients with modified inflation-deflation method) who underwent thoracoscopic anatomic segmentectomy were retrospectively studied in the Anhui Chest Hospital from June 2020 to June 2021. There were 113 patients in the simple segmentectomy group and 167 patients in the complex segmentectomy group. The baseline data of the fluorescence method and the modified inflation-deflation method in the complex segmentectomy group were corrected by propensity score matching, and the perioperative results were compared between the groups.Results:There were no significant differences in segmental resection time, intraoperative blood loss, postoperative drainage, postoperative pain, postoperative extubation time, length of hospital stay, incidence of complications and cost of hand-holding between the fluorescence method and the modified method of the simple segmentectomy group.In the complex segmentectomy group, the time of segmental resection with the fluorescence method was significantly shorter than that with the modified inflation-deflation method( P<0.05), and other indexes had no significant difference. Conclusion:Fluorescence method single-port thoracoscopic anatomic segmentectomy has the same perioperative safety and short-term efficacy as modified inflation-deflation method, which can significantly shorten the operative time and improve the operative efficiency in complex anatomic segmentectomy.
5.Evaluation on measurement uncertainty of correction factors of fluconazole impurities determined by HPLC standard curve method
Ting XIAO ; Bufang MA ; Chen WANG ; Shangchen YAO ; Yanchun FENG ; Baoming NING
Journal of China Pharmaceutical University 2022;53(3):306-313
In this paper, the uncertainties of correction factors of fluconazole impurities determined by HPLC standard curve method were evaluated, and the main common factors affecting the accuracy of standard curve method were found, so as to improve the accuracy of the method.In this study, the corresponding fitting lines of fluconazole and its impurities A, B, C, D, F and I were established respectively, and the ratio of the slope of fitting lines of each impurity and its corresponding principal component was calculated as the correction factor of the impurity.Then on the basis of GUM method, the uncertainty of each impurity correction factor determined by standard curve method was evaluated according to the established uncertainty evaluation scheme of correction factor determination process.The correction factor and uncertainty of fluconazole impurities A, B, C, D, F and I were 1.068 ± 0.046, 0.102 ± 0.005, 0.0582 ± 0.0031, 1.382 ± 0.121, 0.802 ± 0.067 and 1.383 ± 0.119, respectively, and the coverage factor k was 2.Finally, the contribution rate of each uncertainty component was calculated.In the relative combined standard uncertainties urel(f) of fluconazole impurities A, B, C, D, F and I correction factors, the sum of contribution rate of slope uncertainty urel(K) of the linear equation of principal component and its impurity is more than 85%; in the slope uncertainties urel(K) of linear equation, the contribution rates of uncertainties of solution concentration in 8 of 12 data groups are more than 80%, and the contribution rates of uncertainties introduced by reference substance content in solution concentration are about 80%.It can be seen that the preparation of linear solution concentration is the most influential factor in the determination of impurity correction factor by standard curve method, followed by the linear fitting process.In the preparation process of linear solution concentration, the purity of reference substance is the most influential factor, followed by weighing and pipetting times.The conclusion can help the experimenters to better formulate experimental plans and ensure the accuracy of the results when doing similar work.
6.Diagnosis and treatment of 112 patients with solid pseudopapillary neoplasm of the pancreas
Zhikai JIAO ; Ningning FENG ; Yan DING ; Jionghui FU ; Yueshan ZHANG ; Baoming YANG ; Xi KANG ; Shunxiang WANG
Chinese Journal of General Surgery 2021;36(11):831-834
Objective:To study the clinicopathological features, diagnosis, treatment and prognosis of patients with solid pseudopapillary neoplasm of the pancreas (SPN).Methods:From Jan 2008 to Dec 2017, 112 pathology confirmed SPN patients who underwent surgical treatment at the Fourth Hospital of Hebei Medical University were followed up. The clinicopathological characteristics and diagnosis were analyzed.Results:Most SPN patients were young women, the ratio of male to female is 1∶7. SPN patients have no typical clinical symptoms. The preoperative diagnostic accuracy of SPN was 57.14% with imaging examination. Pathological diagnosis depends mainly on immunohistochemical staining. All patients underwent surgical resection. Follow-up ranged from 4 to 123 months. The mean follow-up time was 49 months. All patients were doing well and no recurrence or metastasis was found.Conclusions:SPN is a rare tumor with low malignant potential. Surgical resection is effective.
7.Analysis of clinical efficacy of closed negative pressure drainage in the treatment of elderly patients with abdominal trauma and infection
Baoming ZHANG ; Weimin RONG ; Wei FENG
Chinese Journal of Primary Medicine and Pharmacy 2017;24(7):1098-1101
Objective To explore the clinical efficacy and safety of closed negative pressure drainage(VSD) in the treatment of elderly patients with abdominal trauma and infection.Methods 82 elderly patients with abdominal trauma and infection were selected into clinical research,they were divided into two groups according to the treatment time number.41 cases of odd numbers were in the control group,they were given conventional dressing change and antibiotic therapy.41 cases of double numbers were in the observation group,they were given VSD therapy and antibiotic therapy.The clinical efficacy and safety after treatment was evaluated.Results The daily volume of the observation group [(48.67 ± 3.87) mL] was significantly increased compared with the control group,the dressing times [(8.59 ±1.04) times],hospitalization time [(18.33 ± 1.50) d] were significantly reduced compared with the control group,the differences were statistically significant(t =8.56,7.88,6.74,all P < 0.05).The VAS score after treatment of the observation group was (3.38 ± 0.51)points,which was significantly lower than those before treatment and of the control group,the difference was statistically significant (t =8.06,7.56,all P < 0.05).The infection control rate of the observation group was 92.68%,which was higher than that of control group,and the incidence of adverse reactions of the observation group was 4.88%,which was lower than that of the control group,the differences were statistically significant(x2 =6.87,7.69,all P < 0.05).Conclusion The effect of vacuum sealing drainage technique in the treatment of elderly abdominal trauma and wound infection is significantly,it can effectively control the infection,reduce the number of dressing,relieve the pain of patients,and has the advantages of simple operation,high safety,which is suitable for promotion and application.
8.Effect of zein/chitosan composite membrane on the osteogenic differentiation of bone marrow mesenchymal stem cells
Chunliang LI ; Feng QIN ; Linchang LI ; Baoming TANG ; Zhaowei LI
Chinese Journal of Tissue Engineering Research 2016;20(21):3071-3079
BACKGROUND:Some scholars have prepared zein/chitosan composite membrane based on blending methods, and preliminary evaluation ofitsphysical and chemical properties showsthat chitosan partly improvesthe mechanical properties and hydrophilic properties of zein. Therefore, zein/chitosan composite membrane presumably has good cytocompati bility, which is beneficial to osteogenic differentiation of bone marrow mesenchymal stem cels.
OBJECTIVE:To explore the effect of zein/chitosan composite membrane on the differentiation of bone marrow mesenchymal stem cels into osteoblasts and its feasibility asabone tissue-engineered material.
METHODS:With 60% acetic acid as solvent, zein/chitosan composite membrane was prepared by blending and casting method. The structure and physicochemical properties of the composite membrane were investigated by Fourier transform infrared spectroscopy, tensile testing, water absorption testing and scanning electron microscopy. And the cytocompatibility of the membrane was evaluated byin vitrocel cufture. Besides,bone marrow mesenchymal stem celsfrom Sprague-Dawley ratwere isolatedvia adherence screening method, andthe effects of thecompositemembrane on theosteogenic differentiation ofthese celswere observedby scanning electron microscopy, fluorescent labeling and alkaline phosphatase assay.
RESULTS AND CONCLUSION:The tensile strength, water absorption and hydrophilicity of the films were improved with the chitosan increased; chitosan could promote cel proliferation indicating the good cytocompatibility of the composite films. Moreover, osteogenic induction occurredin bone marrow mesenchymal stem cels cultured on the compositem embrane, and with an increase of chitosan, the induction was promoted. In conclusion, zein/chitosan composite membrane can be applied widely in the field of bone tissue engineering.
9.Dual source CT coronary angiography and selective coronary angiography for evaluation of coronary artery stenosis: a control study
Feng XU ; Yuanyuan BO ; Baoming ZOU ; Qinyan HU ; Zhengyi BAO ; Jingwu WANG ; Min XU
Journal of Interventional Radiology 2015;24(12):1044-1046
Objective To evaluate the diagnostic accuracy of dual source CT angiography (DSCTA) for coronary artery stenosis.Methods During the period from November 2012 to November 2013, a total of 210 patients with coronary artery disease underwent DSCTA and selective coronary arteriography (CAG). Taking CAG as the gold standard, the diagnostic accuracy of DSCTA for coronary artery stenosis was evaluated. Thirty patients receiving DSCTA and 30 patients receiving CAG were selected, and all of them underwent stent implantation in the anterior descending branch after imaging examination. The angiography positions, the used time of PCI and the used dosage of contrast agent were compared between the two groups. Results DSCTA was performed in 210 patients and a total of 2 630 segments of coronary stenosis or occlusion were detected. Compared with CAG, the diagnostic sensitivity, specificity, positive predictive value and negative predictive value of DSCTA were 95.4%, 96.2%, 91.3%and 100%respectively, which were not significantly different from those obtained by CAG (P=0.066). In performing DSCTA, 2-3 angiography positions were used (2-4 positions less than that of CAG), the used time of PCI was about 15 min (about 10 min less than that of CAG), and the mean used dosage of contrast agent was 48 ml (30-150 ml) (about half less than that of CAG). Conclusion DSCTA has higher accuracy in diagnosing coronary artery stenosis, quite similar to that of CAG. DSCTA is a safe, reliable and noninvasive examination method. Preoperative DSCTA can reduce exposure positions during angiography, can reduce the dosage of contrast agent, and can shorten the time of PCI as well, thus, iatrogenic radioactive radiation dose can be reduced.
10.Prokaryotic expression, purification and activity analysis of recombinant human serine protease inhibitor Hespintor Kazal Domain.
Jie FENG ; Yongzhi LUN ; Yue LI ; Huijuan WU ; Baoming LI ; Ling WEI ; Xiaoli ZHANG ; Xuelei WANG ; Qing CHI
Chinese Journal of Biotechnology 2013;29(11):1607-1616
Hespintor is an unknown function protein that was got from hepatoblastoma cell lines HepG2 by suppression subtractive hybridization technique (SSH), sequence analysis showed that the protein is a new member of secretory type of Kazal type serine protease inhibitor (Serpin) family, and has high homology with esophageal cancer related gene 2 (ECRG2). The coding sequence of Hespintor's Kazal domain was subcloned into prokaryotic expression vector pET-40b(+), then transformed into Rosetta (DE3). A recombinant protein about 42 kDa in the form of inclusion body was optimization expressed by inducing with 0.25 mmol/L IPTG, 30 degrees C for 5 h. and its specificity was confirmed via Western blotting. The recombinant protein was purified by metal chelate affinity chromatography (MCAC) and anion-exchange chromatography. The preliminary experimental result showed that the recombinant protein can inhibit trysin hydrolysis activity specifically. The result clearly demonstrated that Hespintor, as a novel member of Serpin, would be valuable in developing anti-tumor agents.
Escherichia coli
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genetics
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metabolism
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Genetic Vectors
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genetics
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Hep G2 Cells
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Humans
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Proteinase Inhibitory Proteins, Secretory
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Recombinant Proteins
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biosynthesis
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genetics
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Serine Peptidase Inhibitors, Kazal Type
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Serine Proteinase Inhibitors
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biosynthesis
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classification
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genetics

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