1.Connotation of Traditional Chinese Medicine's Protection of Pulmonary Microvascular Endothelial Cells in Prevention and Treatment of Chronic Obstructive Pulmonary Disease Based on "Lung Collateral Theory"
Jingjing XIN ; Tongxing WANG ; Ningxin HAN
Chinese Journal of Experimental Traditional Medical Formulae 2025;31(7):221-229
Chronic obstructive pulmonary disease (COPD) is a common disease with a high incidence and mortality rate in the world. It is characterized by chronic inflammation and structural obstruction and is not completely reversible which will lead to shortness of breath caused by air retention and physical exertion. Traditional Chinese medicine proposes the concept of "lung collaterals", which refers to the collateral vessels scattered throughout the lungs and lung system. The lung collaterals include the pulse collaterals and Qi collaterals. The blood circulation in the pulse collaterals belongs to Yin, distributed internally along the way. The Qi circulation in the Qi collateral belongs to Yang and is distributed externally. In western medicine, the pulse collaterals have an identity with large, medium, and small blood vessels, microvessels, and especially microcirculation. The Qi collateral encompasses systems such as the nervous, endocrine, and immune system. Pulmonary microvascular endothelial cells (HPMECs) are an important component of the pulmonary microvascular endothelium. Recent studies have found that HPMECs are the main damaged cells in the pathogenesis of COPD, mediating the occurrence and development of COPD. Traditional Chinese medicine can regulate HPMECs to treat COPD through multiple components, targets, and pathways, and has the advantage of reducing western medicine resistance and many side effects. Based on the "lung collateral theory", this paper focused on HPMECs, and elaborated on the new connotation of traditional Chinese medicine in protecting HPMECs to treat COPD, aiming to provide new insights for the clinical treatment of COPD by protecting HPMECs.
2.Connotation of Traditional Chinese Medicine's Protection of Pulmonary Microvascular Endothelial Cells in Prevention and Treatment of Chronic Obstructive Pulmonary Disease Based on "Lung Collateral Theory"
Jingjing XIN ; Tongxing WANG ; Ningxin HAN
Chinese Journal of Experimental Traditional Medical Formulae 2025;31(7):221-229
Chronic obstructive pulmonary disease (COPD) is a common disease with a high incidence and mortality rate in the world. It is characterized by chronic inflammation and structural obstruction and is not completely reversible which will lead to shortness of breath caused by air retention and physical exertion. Traditional Chinese medicine proposes the concept of "lung collaterals", which refers to the collateral vessels scattered throughout the lungs and lung system. The lung collaterals include the pulse collaterals and Qi collaterals. The blood circulation in the pulse collaterals belongs to Yin, distributed internally along the way. The Qi circulation in the Qi collateral belongs to Yang and is distributed externally. In western medicine, the pulse collaterals have an identity with large, medium, and small blood vessels, microvessels, and especially microcirculation. The Qi collateral encompasses systems such as the nervous, endocrine, and immune system. Pulmonary microvascular endothelial cells (HPMECs) are an important component of the pulmonary microvascular endothelium. Recent studies have found that HPMECs are the main damaged cells in the pathogenesis of COPD, mediating the occurrence and development of COPD. Traditional Chinese medicine can regulate HPMECs to treat COPD through multiple components, targets, and pathways, and has the advantage of reducing western medicine resistance and many side effects. Based on the "lung collateral theory", this paper focused on HPMECs, and elaborated on the new connotation of traditional Chinese medicine in protecting HPMECs to treat COPD, aiming to provide new insights for the clinical treatment of COPD by protecting HPMECs.
3.Analysis of Medication Patterns for Ancient Epidemic Treatment Based on Data Mining
Peipei JIN ; Tongxing WANG ; Liping CHANG ; Bin HOU ; Ningxin HAN ; Xiaoqi WANG ; Zhenhua JIA
Chinese Journal of Experimental Traditional Medical Formulae 2025;31(11):287-294
ObjectiveExploring the formula rules of commonly used traditional Chinese medicines(TCMs) for epidemic treatment from the Qin and Han dynasties to the Qing dynasty through data mining, providing reference for the prevention and control of contemporary epidemics. MethodsThe articles on epidemic treatment in the electronic database of Chinese Medical Code V5.0 were systematically searched, and the contents such as source, dynasty, author, diagnosis, formula name, therapeutic method and efficacy, and composition of medicines from each article that met the inclusion criteria were extracted. Then, an Excel standardized database was established, and Python programs were used for data mining to summarize the frequency of commonly used medicines and perform hierarchical cluster analysis, Pearson correlation analysis, and association rule analysis. ResultsA total of 1 595 formulas were included, involving 558 TCMs. The efficacy of these medicines could be classified into two categories, namely, expeling pathogenic factors and reinforcing healthy Qi. According to the frequency deconstruction analysis, high-frequency medicines were mainly detoxification, Fu-organ dredging, aromatization and promoting blood circulation, followed by the medicines with the effect of treating the lungs, such as clearing the lungs and resolving phlegm, clearing heat and purging the lungs, relieving cough and asthma, and purging the lungs and relieving asthma. And the proportions of acrid-warm herbs and acrid-cold herbs varied in different periods. Hierarchical clustering and correlation analysis both suggested TCMs for expeling pathogenic factors and reinforcing healthy Qi often formed stable combinations with high association degrees. Association rule analysis showed that the core acrid-warm herb was mainly Ephedrae Herba, and the core acrid-cold herb was mainly Forsythiae Fructus, resulting in the core formulas of Maxing Shigantang and Yinqiaosan. ConclusionThroughout history, the prevention and control of epidemics have been based on the principle of "preserving healthy Qi and avoiding toxic Qi", focusing on the treatment of the causes and characteristics of epidemics through detoxification, Fu-organ dredging, and aromatization, emphasizing the use of Rhei Radix et Rhizoma and other herbs to dredge Fu-organ, eliminate toxins and pathogens, and playing the role of actively intervene with symptomatic medication. And based on the external manifestations of the body's struggle between evil and righteousness, diagnose and treatment according to syndrome differentiation was performed.
4.Analysis of Medication Patterns for Ancient Epidemic Treatment Based on Data Mining
Peipei JIN ; Tongxing WANG ; Liping CHANG ; Bin HOU ; Ningxin HAN ; Xiaoqi WANG ; Zhenhua JIA
Chinese Journal of Experimental Traditional Medical Formulae 2025;31(11):287-294
ObjectiveExploring the formula rules of commonly used traditional Chinese medicines(TCMs) for epidemic treatment from the Qin and Han dynasties to the Qing dynasty through data mining, providing reference for the prevention and control of contemporary epidemics. MethodsThe articles on epidemic treatment in the electronic database of Chinese Medical Code V5.0 were systematically searched, and the contents such as source, dynasty, author, diagnosis, formula name, therapeutic method and efficacy, and composition of medicines from each article that met the inclusion criteria were extracted. Then, an Excel standardized database was established, and Python programs were used for data mining to summarize the frequency of commonly used medicines and perform hierarchical cluster analysis, Pearson correlation analysis, and association rule analysis. ResultsA total of 1 595 formulas were included, involving 558 TCMs. The efficacy of these medicines could be classified into two categories, namely, expeling pathogenic factors and reinforcing healthy Qi. According to the frequency deconstruction analysis, high-frequency medicines were mainly detoxification, Fu-organ dredging, aromatization and promoting blood circulation, followed by the medicines with the effect of treating the lungs, such as clearing the lungs and resolving phlegm, clearing heat and purging the lungs, relieving cough and asthma, and purging the lungs and relieving asthma. And the proportions of acrid-warm herbs and acrid-cold herbs varied in different periods. Hierarchical clustering and correlation analysis both suggested TCMs for expeling pathogenic factors and reinforcing healthy Qi often formed stable combinations with high association degrees. Association rule analysis showed that the core acrid-warm herb was mainly Ephedrae Herba, and the core acrid-cold herb was mainly Forsythiae Fructus, resulting in the core formulas of Maxing Shigantang and Yinqiaosan. ConclusionThroughout history, the prevention and control of epidemics have been based on the principle of "preserving healthy Qi and avoiding toxic Qi", focusing on the treatment of the causes and characteristics of epidemics through detoxification, Fu-organ dredging, and aromatization, emphasizing the use of Rhei Radix et Rhizoma and other herbs to dredge Fu-organ, eliminate toxins and pathogens, and playing the role of actively intervene with symptomatic medication. And based on the external manifestations of the body's struggle between evil and righteousness, diagnose and treatment according to syndrome differentiation was performed.
5.Design,synthesis and activity evaluation of novel 5-HT2A receptor antagonists
Luobing HAN ; Shiyang SUN ; Yu ZHAO ; Gang YU ; Ruibin SU ; Zhibing ZHENG ; Song LI
Military Medical Sciences 2024;48(10):767-777
Objective To discover 5-HT2A receptor antagonist molecules with novel structures and explore their structure-activity relationship through structure-and mechanism-based drug design,synthesis and activity evaluation.Methods The way in which pimovanserin interacted with 5-HT2A receptor was analyzed via molecular docking,molecular dynamics simulation and binding free energy calculations.Based on the results of this study,the 5-HT2A receptor antagonist target compounds with novel structures were designed using pimovanserin as the lead molecule.According to the structures of target compounds,corresponding synthetic routes were designed.The heterocyclic methylamine intermediates were obtained by reductive amination or reduction reaction from heterocyclic formaldehyde or heterocyclic methanonitrile before being reacted with 4-(4-fluorobenzylamino)-1-methylpiperidine to obtain the target compounds using CDI urea synthesis method.The inhibitory activity of the target compounds against 5-HT2A receptor was tested at the cellular level,and the anti-hallucinogenic effects of the target compounds were tested in the mouse head twitch response model.Results Twelvenovel compounds were synthesized and their structures were confirmed by HR-MS,1H-NMR and 13C-NMR.The results of the activity assay showed that compounds 6a,6c and 6d exhibited better 5-HT2Areceptor inhibitoryactivity with IC50 values of 120,152 and 285 nmol/L,respectively while compounds 6c and 6d exhibited better anti-hallucinogenic activity in mice with inhibition rates of 97.0%and 82.9%(10 mg/kg),respectively.Conclusion The novel compound 6c and 6d have shown strong 5-HT2A receptor inhibitoryactivity and anti-hallucinogenic activity and deserve more research.Structure-activity relationship analyses of target compounds indicate that the repulsion of the heterocyclic ring with basic N atoms and the accommodation of the heterocyclic ring without basic N atoms by the side extended pocket of the 5-HT2A receptor could significantly affect the ex vivo and in vivo effects of antagonists.