1.Mechanism of Qizao oral liquid in the treatment of lead poisoning based on network pharmacology and molecular docking technology
Manli SUN ; Lijie ZHAO ; Shichang LI ; Huan YANG ; Mingjing DUAN ; Yang XU ; Jingqi RUAN
Chinese Journal of Industrial Hygiene and Occupational Diseases 2025;43(7):489-497
Objective:To investigate the effective ingredients and molecular mechanisms of Qizao oral liquid in the treatment of lead poisoning through network pharmacology and molecular docking technology.Methods:December 2023, the effective ingredients and their corresponding targets of Qizao oral liquid were searched from the TCM Systems Pharmacology database. Swiss Target Prediction was used to predict corresponding potential target genes of compounds. Targets associated with lead poisoning were obtained from GeneCards and OMIM databases. Cytoscape 3.10.1 software was employed to construct a components and corresponding target network as well as a components and corresponding target network, followed by visualization and cluster analysis. GO and KEGG enrichment analyses were conducted using the Metascape database, resulting in the generation of a signaling pathway-target network diagram. Molecular docking analysis between the principal compounds and target proteins was performed using Autodock 4.2.6 and Pymol 2.2.0 software to validate their underlying molecular mechanisms.Results:A total of 114 active chemical components, 361 potential targets, 2501 lead poisoning targets, and 191 intersection targets of "Qizao oral liquid and lead poisoning" were screened. Further analysis revealed that there were 2091 entries for GO biological processes and 202 KEGG signaling pathways. Enrichment analysis showed that the key targets were mainly enriched in cancer, lipid and atherosclerosis, PI3K-Akt signaling pathways. Molecular docking showed that there were 14 combinations with binding energy<-5 kcal/mol, among which PIK3R1-β-sitosterol binding energy was -9.71 kcal/mol.Conclusion:The primary active components found in Qizao oral liquid, such as β-sitosterol, nuciferine, stephanine, and stigmasterol, have the potential to modulate key targets including PIK3R1, AKT1, TP53, and NFKB1. These components are capable of influencing the PI3K-Akt signaling pathway as well as lipid and atherosclerosis pathways in order to mitigate the adverse effects of lead exposure.
2.Mechanism of Qizao oral liquid in the treatment of lead poisoning based on network pharmacology and molecular docking technology
Manli SUN ; Lijie ZHAO ; Shichang LI ; Huan YANG ; Mingjing DUAN ; Yang XU ; Jingqi RUAN
Chinese Journal of Industrial Hygiene and Occupational Diseases 2025;43(7):489-497
Objective:To investigate the effective ingredients and molecular mechanisms of Qizao oral liquid in the treatment of lead poisoning through network pharmacology and molecular docking technology.Methods:December 2023, the effective ingredients and their corresponding targets of Qizao oral liquid were searched from the TCM Systems Pharmacology database. Swiss Target Prediction was used to predict corresponding potential target genes of compounds. Targets associated with lead poisoning were obtained from GeneCards and OMIM databases. Cytoscape 3.10.1 software was employed to construct a components and corresponding target network as well as a components and corresponding target network, followed by visualization and cluster analysis. GO and KEGG enrichment analyses were conducted using the Metascape database, resulting in the generation of a signaling pathway-target network diagram. Molecular docking analysis between the principal compounds and target proteins was performed using Autodock 4.2.6 and Pymol 2.2.0 software to validate their underlying molecular mechanisms.Results:A total of 114 active chemical components, 361 potential targets, 2501 lead poisoning targets, and 191 intersection targets of "Qizao oral liquid and lead poisoning" were screened. Further analysis revealed that there were 2091 entries for GO biological processes and 202 KEGG signaling pathways. Enrichment analysis showed that the key targets were mainly enriched in cancer, lipid and atherosclerosis, PI3K-Akt signaling pathways. Molecular docking showed that there were 14 combinations with binding energy<-5 kcal/mol, among which PIK3R1-β-sitosterol binding energy was -9.71 kcal/mol.Conclusion:The primary active components found in Qizao oral liquid, such as β-sitosterol, nuciferine, stephanine, and stigmasterol, have the potential to modulate key targets including PIK3R1, AKT1, TP53, and NFKB1. These components are capable of influencing the PI3K-Akt signaling pathway as well as lipid and atherosclerosis pathways in order to mitigate the adverse effects of lead exposure.
3.Exploration the modern scientific connotations of traditional Chinese medicine theory and therapeutic mechanism of Chinese materia medica based on extracellular vesicles
Journal of Beijing University of Traditional Chinese Medicine 2024;47(10):1333-1342
Extracellular vesicles(EVs)are secreted by various cells and carry information such as parent cell-derived RNA,DNA,proteins,and lipids.They mediate information exchange between cells and organs,playing a crucial role in disease occurrence and development,diagnosis,treatment,and targeted drug delivery.EVs are also closely associated with traditional Chinese medicine theories and treatments.The qi-blood-fluid and visceral outward manifestation theories are the fundamental theories of traditional Chinese medicine.EVs belong to the fluid category and can reach other viscera through the blood vessels.They regulate the relationship between the viscera or cause imbalances between the viscera,resulting in disease.Chinese materia medica,which primarily includes traditional Chinese patent medicines and simple preparations,and Chinese herbal medicine,can help regulate the quantity and content of endogenous EVs in the body to improve pathological conditions.Additionally,EV-like particles derived from herbal medicines are a major form of pharmacologically active substances that contribute to the therapeutic effects of Chinese medicine in treating diseases.Furthermore,EVs can also be used as carriers to deliver drugs for targeted therapy.Therefore,exploring the relationship between traditional Chinese medicine and EVs will elucidate the modern scientific connotation of traditional Chinese medicine theories and reveal the mechanism of Chinese materia medica.The development of engineered EVs based on Chinese materia medica will provide novel strategies for clinical treatment.
4.A case of acute poisoning of typhonium giganteum engler
Zhiwen ZHAO ; Juan ZHAO ; Xuefang LIU ; Xiaolin ZHANG ; Mingjing HUANG ; Zhicheng FANG
Chinese Journal of Industrial Hygiene and Occupational Diseases 2024;42(1):53-55
Unicorn lotus is a plant tuber in the araceae family, which has therapeutic effects such as dispelling cold and dampness, dispelling wind and phlegm, and treating stroke. However, acute poisoning of fresh Unicorn lotus has been rarely reported domestically and internationally. This article reports a case of poisoning caused by chewing unicorn lotus. The patient experienced numbness in the lips, swelling and rupture of the oral cavity, continuous salivation, difficulty swallowing and obvious burning sensation in the throat, accompanied by shortness of breath and mild hypoxemia. After receiving comprehensive treatments such as oxygen therapy, electrocardiographic monitoring, cleaning of necrotic oral mucosa, anti infection, inhibition of oral salivary secretion, and nutritional support, the patient finally recovered and was discharged.
5.A case of acute poisoning of typhonium giganteum engler
Zhiwen ZHAO ; Juan ZHAO ; Xuefang LIU ; Xiaolin ZHANG ; Mingjing HUANG ; Zhicheng FANG
Chinese Journal of Industrial Hygiene and Occupational Diseases 2024;42(1):53-55
Unicorn lotus is a plant tuber in the araceae family, which has therapeutic effects such as dispelling cold and dampness, dispelling wind and phlegm, and treating stroke. However, acute poisoning of fresh Unicorn lotus has been rarely reported domestically and internationally. This article reports a case of poisoning caused by chewing unicorn lotus. The patient experienced numbness in the lips, swelling and rupture of the oral cavity, continuous salivation, difficulty swallowing and obvious burning sensation in the throat, accompanied by shortness of breath and mild hypoxemia. After receiving comprehensive treatments such as oxygen therapy, electrocardiographic monitoring, cleaning of necrotic oral mucosa, anti infection, inhibition of oral salivary secretion, and nutritional support, the patient finally recovered and was discharged.
6.Expert consensus on postoperative care of patients with a left ventricular assistant device
Nursing Professional Committee of the National Cardiovascular Disease Expert Committee ; Yan MA ; Rong WU ; Chen ZHANG ; Qingyin LI ; Yujia HUANG ; Mingjing ZHAO ; Qiang FU ; Yonggang LI ; Jiani WANG
Chinese Journal of Nursing 2024;59(14):1687-1690
Objective To standardize nursing management on postoperative patients with a left ventricular assist-ant device(LVAD).Methods The first draft of the Consensus was formed on the basis of literature review.2 rounds of expert consultations and a round of online meeting discussion were held for adjustments and modifications the draft of the Consensus.Results The recovery rate of the inquiry questionnaire was 93.75%.The authority coefficients of the 2 rounds of inquiry experts were 0.927 and 0.920.The concentration degree of expert opinions for each indicator was greater than 3.5 score,and the coefficient of variation was less than 0.25.The Kendall harmony coefficients for 2 rounds of correspondence were 0.402 and 0.407(P<0.01).The final Consensus formed through expert consultations and meetings includes 7 themes:hemodynamic monitoring,LVAD function monitoring,coagulation function monitoring,percutaneous cable and wound care,exercise rehabilitation care,health education and guidance,and pre-discharge assessment.Conclusion The Consensus is scientific,rigorous,and authoritative.The Consensus covers all aspects of postoperative care for patients with LVAD,and it will benefit to clinical practice.
7.Construction and validation of a risk prediction model for prolonged mechanical ventilation in adult heart transplant recipients
Yonggang LI ; Feifei ZHUANG ; Rong WU ; Yanni HUO ; Yujia HUANG ; Mingjing ZHAO ; Chen ZHANG
Chinese Journal of Modern Nursing 2023;29(12):1556-1562
Objective:To establish a risk prediction model for prolonged mechanical ventilation in adult heart transplant recipients.Methods:This study used structured language to query hospital electronic medical record systems. From January 2004 to December 2021, 957 adult recipients undergoing cardiac transplantation at Fuwai Hospital of the Chinese Academy of Medical Sciences were selected as the study subject using a convenience sampling. This study collected basic information, past history, preoperative blood creatinine, preoperative total bilirubin, preoperative ventilation assistance, and intraoperative donor heart cold ischemia time. The enrolled patients were divided into a training group ( n=717) and a validation group ( n=240) in a ratio of 3∶1. Based on the training group data, a risk prediction model was constructed using two-way stepwise Logistic regression. The prediction performance of the model was evaluated using the area under the receiver operating characteristic (ROC) curve, sensitivity and specificity based on the validation group data. Results:A total of 957 adult heart transplant recipients were included, and 18.39% (176/957) of them experienced prolonged mechanical ventilation (>24 hours) after surgery. Based on the model established by the training group data, 7 independent risk factors for prolonged mechanical ventilation after surgery were clarified, including age ≥ 60 years old ( OR=1.820), history of blood transfusion ( OR=5.237), previous cardiac surgery ( OR=2.826), preoperative total bilirubin≥ 34.2 μmol/L ( OR=1.861), preoperative ventilator assistance ( OR=9.421), preoperative intra-aortic balloon pump assistance ( OR=1.826), intraoperative donor heart cold ischemia time≥ 360 min ( OR=2.093) ( P<0.05). The area under the curve of the model was 0.676 (95% confidence interval was 0.581 to 0.770), with a sensitivity of 0.500, and a specificity of 0.796. Conclusions:Based on the data of adult heart transplant recipients from a single center, this study established a relatively simple and objective risk prediction model that can predict the prolonged mechanical ventilation in adult heart transplant recipients, and has good clinical value.
8.Molecular chaperones facilitate soluble expression of recombinant non-toxic mutant CRM197 of diphtheria toxin in Escherichia coli.
Mengting YANG ; Xiaoxiao LI ; Chen LIN ; Mingjing LIU ; Yezi CHEN ; Yun ZHAO ; Chaoqi LIU
Chinese Journal of Biotechnology 2021;37(4):1368-1375
Diphtheria toxin is an ADP-ribosyltransferase toxic to human cells. Mutation of the active site in its catalytic domain eliminates the toxicity, but retains its immunogenicity. A non-toxic mutant of diphtheria toxin known as CRM197 protein has become an ideal carrier protein for conjugate vaccines. CRM197 can further improve its immunogenicity by cross-linking with other antigens, so it has good potential to find broad applications. Unfortunately, inclusion bodies are easily formed during the expression of recombinant CRM197 protein in Escherichia coli, which greatly reduces its yield. In order to address this problem, pG-KJE8 vector carrying molecular chaperones and plasmid pET28a-CRM197, were co-expressed in Escherichia coli. The results showed that the recombinant CRM197 protein was successfully expressed and appeared largely in inclusion bodies. The molecular chaperones DnaK, DnaJ, GrpE, GroES and GroEL5 expressed can facilitate correct and rapid folding of CRM197. Furthermore, it can also improve the recovery rate of soluble CRM197 protein. The soluble expression of CRM197 was maximized upon addition of 1.0 mmol/L IPTG, 0.5 mg L-arabinose, 5.0 ng/mL tetracycline and induction at 20oC for 16 h. The soluble CRM197 protein shows good immunoreactivity, demonstrating the molecular chaperones expressed from pG-KJE8 facilitated the soluble expression of CRM197 protein in E. coli.
Bacterial Proteins
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Diphtheria Toxin/genetics*
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Escherichia coli/genetics*
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Humans
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Molecular Chaperones/genetics*
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Recombinant Proteins/genetics*
9.Study on Safe and Effective Clinical Methods for Arsenic-containing Compound Qinghuang Powder in Treatment of Myelodysplastic Syndrome
Zhongyang DENG ; Su FANG ; Hongzhi WANG ; Xiaoqing GUO ; Xiupeng YANG ; Rou MA ; Yonggang XU ; Xiaohong YANG ; Pan ZHAO ; Mingjing WANG ; Bowen YI ; Xiaohong SHANG ; Xiaomei HU
Chinese Journal of Information on Traditional Chinese Medicine 2017;24(10):22-26
Objective To search for application ways for the safe and effective clinical methods of arsenic-containing Compound Qinghuang Powder (Compound QHP) for the treatment of myelodysplastic syndrome (MDS). Methods Totally 200 patients with MDS were included in the study and treated with Compound QHP. After one-month treatment, the 60 patients with the blood arsenic concentrations <20 μg/L were randomly divided into control group and treatment group, with 30 cases in each group. Control group was given stable treatment, while the treatment group was given increased dose of realgar; blood arsenic concentration was detected monthly; realgar 0.1 g was increased each time until blood arsenic concentrations ≥20 μg/L and realgar ≤0.3 g/d. The blood arsenic concentration, clinical efficacy and safety in the two groups were observed. Results Totally 24 cases in each group were included for evaluation finally. The average blood arsenic concentration of treatment group was significantly higher than those of control group (P<0.05). The rate of hematologic improvement was significantly higher in treatment group (54.2%, 13/24) than that in control group (29.2%, 7/24) , with significant difference (P<0.05). The Hb, ANC, and PLT significantly increased in treatment group after treatment (P<0.05). There was no significant difference of incidence rate of adverse reaction observed between treatment group and control group (P>0.05). Conclusion In application of Compound QHP, the blood arsenic concentration can be monitored to adjust the daily dose of realgar, thus to increase the effective blood arsenic concentration, and then improving efficacy without increasing the clinical toxicity.
10.Clinical efficacy and safety of compound Qinghuang powder for treatment of myelodysplastic syndromes and its association with blood arsenic concentration
Zhongyang DENG ; Su FANG ; Hongzhi WANG ; Xiaoqing GUO ; Xiupeng YANG ; Yonggang XU ; Pan ZHAO ; Mingjing WANG ; Bowen YI ; Xiaohong SHANG ; Rou MA ; Xiaomei HU
Journal of Leukemia & Lymphoma 2017;26(5):261-266
Objective To analyze the clinical efficacy and safety of compound Qinghuang powder (compound QHP) for treatment of myelodysplastic syndromes (MDS) and its association with blood arsenic concentration (BAC). Methods 40 patients with MDS were treated with compound QHP, and the clinical efficacy, safety, and its association with BAC were evaluated after treatment for 6, 9 months, respectively. Results After treatment for 6 months, the rate of hematology improvement was 32.5 % (13/40), and the effective rate was 87.5%(35/40). 21 cases depended on the blood transfusion before treatment, after treatment 6 cases completely got rid of blood transfusion and the blood transfusion of another 6 cases was decreased by more than 50 %. The absolute neutrophil count was increased from (0.50±0.13)×109/L to (0.93±0.33)×109/L (t= 4.130, P= 0.0008). The hemoglobin content was increased from (71.06±14.82) g/L to (80.41±27.35) g/L (t= 2.233, P= 0.0321). After treatment for 9 months, 76.2 % (16/40) of the patients got rid of blood transfusion or blood transfusion reduction was more than 50%. The platelet count was increased from (45.04 ± 24.38)×109/L to (60.65±29.46)×109/L (t= 2.241, P= 0.0335). The incidence of abdominal pain and diarrhea after treatment for 1, 3 and 6 months were 12.5 % (5/40), 10.0 % (4/40) and 5.0 % (2/40), respectively, all belonging to mild level . Before treatment , there were 12 patients with abnormal liver function , including 6 cases back to normal after treatment, and 6 cases of significantly relieved, without new case with abnormal liver function. Before treatment, there were 10 cases with abnormal myocardial enzymes, including 1 cases back to normal after treatment and 9 cases significantly relieved, without new case with abnormal myocardial enzymes. No patient with abnormal renal function was observed before and after treatment. The BAC was (7.71±5.65) μg/L before treatment, which was significantly lower than that of 1, 3 and 6 months [(29.27±9.07)μg/L, (27.79 ±10.18) μg/L and (31.98 ±12.55) μg/L respectively, all P< 0.0001]. There was no significant change of BAC among the patients after treatment for 1, 3 and 6 months (P> 0.05). The BAC in efficacy group [(33.48 ±12.56) μg/L] was significantly higher than that in non-efficacy group [(21.46 ±6.00) μg/L] (t=2.089, P=0.035). 12.5% (5/40) of the patients had mild gastrointestinal side effects after treatment for 1 month, while the BAC of them [(16.93 ±1.80) μg/L] was significantly lower than that in patients without gastrointestinal side effects [(31.78±1.39 ) μg/L, P<0.0001]. The occurrence rate of abdominal pain and diarrhea was decreased after treatment for 3 and 6 months, while the BAC was increased gradually. Conclusions Compound QHP is effective in the treatment of MDS with mild adverse reactions. There is no damage to the heart, liver, and renal function. Besides, it shows that reducing the gastrointestinal adverse reactions and maintaining the effective concentration of BAC play a significant role in the effect of compound QHP in the treatment of MDS.

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