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基于网络药理学与分子对接探讨参芪白石汤治疗胃癌的机制
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作者 杨从影 唐莉华 +2 位作者 孙龙华 罗江 黄学娣 《健康研究》 CAS 2024年第1期62-69,F0003,共9页
目的运用网络药理学方法、GEO数据库与分子对接,探讨参芪白石汤(SBD)治疗胃癌(gastric cancer,GC)的作用机制。方法SBD有效成分及相应靶点通过TCMSP数据库、Pubchem获取,根据《中药大辞典》补充成分,GC差异表达基因从GEO数据库搜索,筛选... 目的运用网络药理学方法、GEO数据库与分子对接,探讨参芪白石汤(SBD)治疗胃癌(gastric cancer,GC)的作用机制。方法SBD有效成分及相应靶点通过TCMSP数据库、Pubchem获取,根据《中药大辞典》补充成分,GC差异表达基因从GEO数据库搜索,筛选出GSE118916探针芯片数据集,采用STRING数据库构建PPI蛋白-蛋白互作网络,借助Metascape数据库对核心靶点进行GO和KEGG通路富集分析,利用THPA数据库获得核心基因的免疫组化结果及基因蛋白表达,再运用AutoDock分子对接软件对主要活性成分与核心靶点间的相互作用进行验证。结果获得参芪白石汤9味中药,经OB、DL初步筛选得到63种活性成分,对应930个潜在靶点。GO和KEGG功能富集分析显示,SBD通过平滑肌细胞增殖的调节、对肽的反应、凋亡过程的正向调节、血管相关平滑肌细胞增殖的调节等14个生物过程发挥作用,涉及癌症通路、肿瘤坏死因子信号通路、脂质和动脉粥样硬化、糖尿病并发症中的AGE-RAGE信号通路等。核心基因蛋白的免疫组化显示ICAM1、PTGS2、PPARG在GC组织中呈强阳性表达,分子对接验证发现3-表齐墩果酸和槲皮素与核心靶点对接良好。结论多靶点药物SBD可能是一种很有前景的GC治疗候选药物,但还需要进一步的体内体外实验。 展开更多
关键词 参芪白石汤 胃癌 GO富集分析 KEGG富集分析 网络药理学
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基于网络药理学探究参麦注射液抗肺癌的扶正-祛邪机制 被引量:15
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作者 杨从影 易剑峰 +1 位作者 包梅 张秀美 《中成药》 CAS CSCD 北大核心 2020年第4期1055-1061,共7页
目的基于网络药理学研究参麦注射液抗肺癌的扶正-祛邪网络机制。方法在CNKI数据库文献检索,挖掘参麦注射液的主要活性成分,从Chemical Book数据库获取其三维结构并保存为mol2文件。利用Swiss Target Prediction数据平台预测参麦注射液... 目的基于网络药理学研究参麦注射液抗肺癌的扶正-祛邪网络机制。方法在CNKI数据库文献检索,挖掘参麦注射液的主要活性成分,从Chemical Book数据库获取其三维结构并保存为mol2文件。利用Swiss Target Prediction数据平台预测参麦注射液潜在靶点,并在Gene Cards、Dis Ge NET基因库筛选肺癌靶点。利用String数据库构建相互作用网络,筛选出参麦注射液直接抗癌靶点、网络中心靶点。利用Clue GO软件对直接抗癌靶点、网络中心靶点进行GO分析,通过DAVID v 6. 8平台对关键靶点KEGG分析。结果参麦注射液能调控AKT1、CASP3、MAPK1、MMP9、RB1、STAT3、VEGFA、SRC、NOS3等21个抗肺癌靶点,涉及①VEGF (血管内皮生长因子)、HIF-1 (缺氧诱导因子-1)抑制肿瘤血管生成;②MAPK、Ras、PI3K-Akt、Erb B、m TOR、Fox O等通路抑制肿瘤增殖;③黏着斑连接(Adherens junction)、缝隙连接(Gap junction)、黏着斑(Focal adhesion)通路抗肿瘤浸润转移;④肿瘤坏死因子、NK自然杀伤细胞、T细胞受体、B细胞受体改善肿瘤免疫功能;⑤肿瘤代谢相关的其他通路。结论参麦注射液能抑制肺癌的增殖发展、浸润转移,抑制肿瘤血管生成,实现祛邪作用;通过调节机体肿瘤免疫,达到扶正效果。 展开更多
关键词 参麦注射液 肺癌 扶正 祛邪 网络药理学
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基于网络药理学和分子对接探讨灵芪胶囊治疗结直肠癌作用机制
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作者 杨从影 罗江 +2 位作者 唐莉华 黄学娣 孙龙华 《南昌大学学报(医学版)》 2023年第3期5-11,17,共8页
目的通过网络药理学和分子对接探讨灵芪胶囊(LQC)治疗结直肠癌(CRC)的分子作用机制。方法从中药系统药理学数据库(TCMSP)获取LQC有效成分及靶蛋白数据,从OMIM、TTD、GeneCards数据库获取CRC相关靶点数据,比对得到交集靶点并用STRING数... 目的通过网络药理学和分子对接探讨灵芪胶囊(LQC)治疗结直肠癌(CRC)的分子作用机制。方法从中药系统药理学数据库(TCMSP)获取LQC有效成分及靶蛋白数据,从OMIM、TTD、GeneCards数据库获取CRC相关靶点数据,比对得到交集靶点并用STRING数据库构建PPI网络,用Cytoscape软件构建LQC成分-靶点网络图。使用“NetworkAnalysis”插件分析网络拓扑参数并筛选核心基因,借助David6.8数据库对核心靶点进行基因本体论(GO)、京都基因组百科(KEGG)富集分析,结合THPA数据库分析核心基因的蛋白表达情况,再利用分子对接分析LQC与核心靶点的亲和力。结果数据挖掘共获得LQC有效成分227种,对应382个潜在靶点。GO与KEGG功能富集分析结果主要涉及HIF-1、IL-17、肿瘤坏死因子等信号通路;TIMER数据库分析显示VEGFA、ESR1、SNAI1、PPARG、MMP9、PARP1、DNMT1、AR、IFNG、PGR、NFKB1表达在正常组织与CRC组织之间有显著差异,其中VEGFA、AKT1、PARP1在CRC组织中呈强阳性表达,分子对接验证发现谷甾醇和脱皮甾酮与核心靶点有较高的亲和力。结论LQC中的多种成分可能通过多靶点、多通路发挥抑制CRC的作用,其可能是一种有前景的CRC候选药物。 展开更多
关键词 灵芪胶囊 直结肠癌 基因本体论 分子对接 网络药理学
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不同剂型中药治疗肺腺癌的结局指标
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作者 杨从影 唐莉华 +2 位作者 孙龙华 罗江 黄学娣 《临床合理用药杂志》 2023年第28期178-181,共4页
肺腺癌是支气管黏膜分泌液上皮细胞的恶性肿瘤,中药联合化放疗是目前治疗肺腺癌的常用手段之一,临床上不同剂型的中药疗效参差不齐,分析不同中药剂型治疗肺腺癌的结局指标,并通过大量文献检索随机对照试验及试验对照结局指标,根据数据... 肺腺癌是支气管黏膜分泌液上皮细胞的恶性肿瘤,中药联合化放疗是目前治疗肺腺癌的常用手段之一,临床上不同剂型的中药疗效参差不齐,分析不同中药剂型治疗肺腺癌的结局指标,并通过大量文献检索随机对照试验及试验对照结局指标,根据数据分析归纳出中成药注射液、中药汤剂及中药膏剂、中药合剂、中药口服液及中药颗粒剂等10种剂型,其中中药治疗肺腺癌的生存质量评分、生存率及疾病控制率为普遍使用的结局指标,临床上中药治疗肺腺癌应根据不同剂型的疗效及结局指标选择合适的中药,以提高临床用药准确性,旨在为肺腺癌合理用药提供参考依据。 展开更多
关键词 肺腺癌 中药 剂型 结局指标
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Numerical study of the effect of water content on OH production in a pulsed-dc atmospheric pressure helium–air plasma jet 被引量:1
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作者 钱沐 杨从影 +3 位作者 王震东 陈小昌 刘三秋 王德真 《Chinese Physics B》 SCIE EI CAS CSCD 2016年第1期683-689,共7页
A numerical study of the effect of water content on OH production in a pulsed-dc atmospheric pressure helium-air plasma jet is presented. The generation and loss mechanisms of the OH radicals in a positive half-cycle ... A numerical study of the effect of water content on OH production in a pulsed-dc atmospheric pressure helium-air plasma jet is presented. The generation and loss mechanisms of the OH radicals in a positive half-cycle of the applied voltage are studied and discussed. It is found that the peak OH density increases with water content in air (varying from 0% to 1%) and reaches 6.3 x 10^18 m-3 when the water content is 1%. Besides, as the water content increases from 0.01% to 1%, the space-averaged reaction rate of three-body recombination increases dramatically and is comparable to those of main OH generation reactions. 展开更多
关键词 atmospheric pressure plasma jet OH radicals plasma simulation
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A computational modeling study on the helium atmospheric pressure plasma needle discharge 被引量:1
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作者 钱沐 杨从影 +3 位作者 刘三秋 王震东 吕燕 王德真 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第12期400-411,共12页
A two-dimensional coupled model of neutral gas flow and plasma dynamics is employed to investigate the streamer dynamics in a helium plasma needle at atmospheric pressure. A parametric study of the streamer propagatio... A two-dimensional coupled model of neutral gas flow and plasma dynamics is employed to investigate the streamer dynamics in a helium plasma needle at atmospheric pressure. A parametric study of the streamer propagation as a function of needle tip curvature radius and helium gas flow rate is presented. The key chemical reactions at the He/air mixing layer which drive the streamer propagation are the direct ionization via collision with electrons, the Penning effect being not so crucial. With increasing the gas flow rate from 0.2 standard liter per minute(SLM) to 0.8 SLM, however, the emissions resulting from reactive oxygen and nitrogen species change from a solid circle to a hollow profile and the average streamer propagation velocity decreases. Air impurities(backdiffusion from ambient air) in the helium jet result in a significant increase in the streamer propagation velocity. Besides, with decreasing the tip curvature radiusfrom 200 μm to 100 μm,the electron avalanche process around the near-tip region is more pronounced. However, the spatially resolved plasma parameters distributions(electron, helium metastables, ground state atomic oxygen, etc.) remain almost the same, except that around the near-tip region where their peak values are more than doubled. 展开更多
关键词 atmospheric pressureplasma needle fluid model streamer propagation
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A two-dimensional model of He/O_2 atmospheric pressure plasma needle discharge
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作者 钱沐 杨从影 +4 位作者 陈小昌 刘三秋 晏雯 刘富成 王德真 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第12期412-421,共10页
In this paper, a computational modeling study of stream propagation in the atmospheric-pressure helium plasma in ambient atmosphere(oxygen) is presented. A coupled fluid model between time-dependent plasma dynamics ... In this paper, a computational modeling study of stream propagation in the atmospheric-pressure helium plasma in ambient atmosphere(oxygen) is presented. A coupled fluid model between time-dependent plasma dynamics and steady state neutral gas flow is employed to provide a fundamental insight into the evolution of the streamers. The obtained simulation results showing that the sheath forms near the dielectric surface and shields the axial stream propagation. The stream front propagates with axial velocity in a range of 10^4m/s–10^5m/s. And, the increasing accumulated surface charge should be responsible for reducing the propagation velocity of the streamer front in the axial direction. Besides, when the gas flow rate is 1.1 standard liter per minute(SLM), we find that the concentration of oxygen drastically increases at a larger radial position near a treated surface. Therefore, Penning ionization by helium metastables and oxygen peaks at an off-axis position, corresponding to the ring-shaped emission profile in cylindrical coordinates. In this case, the simulated results show the ring-shaped ground atomic oxygen density profile near the treated surface(z = 0.5 mm) at a large gas flow rate of 1.1 SLM, which is consistent with the observation in a similar experiment. 展开更多
关键词 atmospheric pressure plasma needle discharge streamer dynamics cathode sheath
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Modeling of the Distinctive Ground-State Atomic Oxygen Density Profile in Plasma Needle Discharge at Atmospheric Pressure
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作者 钱沐 杨从影 +3 位作者 陈小昌 倪耿松 刘崧 王德真 《Chinese Physics Letters》 SCIE CAS CSCD 2015年第7期99-101,共3页
A two-dimensional coupled model of neutral gas flow and plasma dynamics is presented to explain the two distinctive patterns of ground-state atomic oxygen density profiles that have been observed experimentally in the... A two-dimensional coupled model of neutral gas flow and plasma dynamics is presented to explain the two distinctive patterns of ground-state atomic oxygen density profiles that have been observed experimentally in the helium plasma needle discharge. When the gas flow rate is 0.25 standard liter per minute (SLM), the discharge is substantially sustained by the electron impact ionization of air near a dielectric surface, corresponding to the radial density peaks along the axis of the symmetry. However, as the flow rate is 1.1 SLM, Penning ionization between helium metastables and surrounding air dominates the ionization reactions and peaks at an off-center position (r = 0.9 mm), which indicates the ring-shaped density distribution. The critical feeding gas flow rate is found to be around 0.4SLM. The peak density is on the order of 1020 m-3 in our case. Previous reports of a flow-dependent bacterial killing pattern and ground-state atomic oxygen measurement support our simulation results. 展开更多
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