Network pharmacology and molecular docking analysis reveal insights into the molecular mechanism of Gualou Qumai Wan in clear cell renal cell carcinoma

Background:To initially clarify the potential therapeutic targets and pharmacological mechanism regarding Gualou Qumai Wan(GQW),a kind of traditional Chinese medicine(TCM),in clear cell renal cell carcinoma(ccRCC)by virtue of the network pharmacology analysis and molecular docking analysis.Methods:The screening of bioactive components and targets of GQW was based on the Traditional Chinese Medicine System Pharmacology(TCMSP)and the UniProt platform served for standardizing their targets.Online Mendelian Inheritance in Man(OMIM),PharmGkb,TTD,DrugBank and GeneCards databases were searched to collect the disease targets of ccRCC.Cytoscape assisted in constructing herb-compound-target(H-C-T)networks.The STRING database was searched for constructing the target protein-protein interaction(PPI)networks,while the R programming language served for analyzing GO functional terms and the KEGG pathways related to potential targets.Analyses of core genes related to survival and tumor microenvironment(TME)were conducted respectively based on the GEPIA2 database and TIMER 2.0 database.Human Protein Atlas(HPA)and The Cancer Genome Atlas(TCGA)helped to obtain core genes’protein expression as well as transcriptome expression level.Autodock Vina software validated the molecular docking regarding GQW components and pivotal targets.Results:The constructed H-C-T networks mainly had 33 compounds and 65 targets.A topological analysis of the PPI network identified that ESR1,AKT1,HIF1A,PTGS2,TP53 and VEGFA serve as core targets in the way GQW affects ccRCC.According to the GO and KEGG pathway enrichment analyses,the effects of GQW are mediated by genes related to hypoxia and oxidative stress as well as the Chemical carcinogenesis-receptor activation and PI3K-Akt signaling pathways.AKT1 shows a close relation to the recruitment of various immune cells and can remarkably affect disease prognosis according to reports.Molecular docking and molecular dynamics simulations showed that diosgenin has higher affinity with core targets.Conclusion:The study makes a comprehensive explanation of the biological activity,potential targets,as well as molecular mechanism regarding GQW against ccRCC,which promisingly assists in revealing the action mechanism of TCM formulae in disease treatment and the respective and scientific basis.

Research progress on synergetic effects of Fuzi(Radix Aconiti Lateralis Preparata)and Tubeimu(Rhizoma Bolbostemmatis)/Gualou(Trichosanthes kirilowii Maxim)

The compatibility of Chinese herbs is the focus and the difficulty in traditional Chinese medicine research,and it has an important guiding role for clinical medicine.Some scholars believe that the Fuzi(Radix Aconiti Lateralis Preparata,FZ)compatibility with Tubeimu(Rhizoma Bolbostemmatis,TBM)/Gualou(Trichosanthes kirilowii Maxim,GL)does not meet the Chinese medicine theory of“eighteen incompatibilities”.However,this combination has been used many times in many clinical medications.This study reviewed the research progress of pharmacological effects of FZ,and FZ compatibility with TBM/GL,in order to correctly understand and apply the“eighteen incompatibilities”drugs,and provide a reference for further exploration of the combined application in clinical treatment.

Lactation breast abscess treated with Gualou Xiaoyong decoction and painless lactation manipulation:A case report and review of literature

BACKGROUND Breast abscess during lactation is a severe complication of acute mastitis,which can lead to discomfort,high fever,breast fistula,sepsis,septic shock,breast damage,disease persistence and frequent hospitalization.Breast abscesses may also lead the mother to discontinue breastfeeding,thereby harming the infant’s health.The predominant pathogenic bacteria are Staphylococcus aureus,Staphylococcus epidermidis and Streptococcus.The incidence of breastfeeding abscesses in breastfeeding women ranges between 4.0%and 11.0%.In cases of breast abscess,the rate of cessation of lactation is 41.0%.In instances of breast fistula,the rate of cessation of lactation is very high(66.7%).Furthermore,50.0%of women with breast abscesses must be hospitalized and treated with intravenous antibiotics.Treatment includes antibiotics,abscess puncture and surgical incision and drainage.The patients suffer from stress,pain and easily induced breast scarring;the disease’s progression is prolonged and recurrent,interfering with infant feeding.Consequently,it is crucial to discover an adequate cure.CASE SUMMARY A 28-year-old woman with a breast abscess was treated with Gualou Xiaoyong decoction and painless breast opening manipulation 24 d after cesarean delivery.On the 2nd d of treatment,the patient’s breast mass was significantly reduced,the pain was significantly reduced,and the general asthenia was improved.All conscious symptoms disappeared after 3 d,breast abscesses faded after 12 d of treatment,inflammation images disappeared after 27 d,and normal lactation images were restored.CONCLUSION In treating breast abscesses during breastfeeding,the combination of Gualou Xiaoyong decoction and painless lactation provides a positive therapeutic impact.This disease’s treatment offers the advantages of a short course of treatment,no need to discontinue breastfeeding and the ability to rapidly mitigate symptoms,which can be used as a reference in clinical practice.

Comparing the mechanism of four classic Gualou-Xiebai prescriptions for cardiovascular diseases with phlegm and blood stasis syndrome based on molecular network modeling

Background:Four classical Traditional Chinese Medicine prescriptions,namely Gualou Xiebai Baijiu decoction,Gualou Xiebai Banxia decoction(GLXBBX),Zhishi Xiebai Guizhi decoction(ZSXBGZ)and Danlou prescription(DL),have been frequently used for treatment of phlegm and blood stasis syndrome(PBSS)-related cardiovascular diseases.However,its therapeutic mechanism has not been clearly elucidated.This study aimed to explore PBSS and its molecular mechanism,clarify and compare the mechanisms of four prescriptions in treating PBSS-related diseases.Method:In this study,we collected four prescriptions’compounds,predicted therapeutic targets,and enriched pathways which were based on network pharmacology.Then,we analysed the commen and different mechanisms by combing the network of components,targets and pathways.Finally,molecular docking was engaged to assess the binding potential of key compounds and hub targets.Results:We showed that four prescriptions’intersection genes(VEGFA,SRC,EGFR,etc.)were commonly enriched in PI3K-AKT signaling pathway,HIF-1 signaling pathway,etc.In addition,platelet activation and cAMP signaling pathway were singly enriched from the GLXBBX through unique compounds 12,13-epoxy-9-hydroxynonadeca-7,10-dienoic acid and Cyclo(L-tyrosyl-L-phenylalanyl).These bioactive compounds may exert GLXBBX’s unique pharmacological pathways via involving in mediating PPARA,PTGER3,etc.Sphingolipid signaling pathway was singly enriched from the ZSXBGZ through unique compounds tetramethoxyluteolin,ergosterol peroxide,etc.These bioactive compounds could mediate ADORA1,ADORA3 and TNFRSF1A to regulate ZSXBGZ’s unique pharmacological pathways.AMPK signaling pathway was singly enriched from the DL through unique compounds kaempferol,evofolinb,ethyl acid and aureusidin.These bioactive compounds were involved in mediating the main targets of AMPK signaling pathway,such as TNF,TNFRSF1A,etc.Conclusions:Our research demonstrated that GLXB-prescriptions involved in almost all pathological stages of PBSS-related cardiovascular diseases by modulating high-frequency shared pathways and targets mainly through key compounds(quercetin,mandenol,sitosteryl acetate and luteolin,etc.),for example,participate in the process of atherosclerosis,lipid metabolism,inflammation,immune response,thrombosis,inhibit inflammatory factors and platelet aggregation,regulate immune function,vascular function,oxidative stress.In addition to common pharmacological efficacies,there could also be specificities among GLXB prescriptions due to different compounds.For example,GLXBBX tends to regulate the function of vascular and endothelial barrier,prevent thrombosis.ZSXBGZ tends to regulate lipid metabolism and protect the heart from lipid accumulation.DL tends to maintain energy homeostasis and improve inflammation.

栝楼根腐病镰孢菌拮抗菌SJ1623发酵代谢物的抑制活性

检测了6株拮抗菌发酵上清液对栝楼根腐病菌的抑制活性,采用菌丝生长速率法测定优势拮抗菌不同接种量和发酵时间对发酵上清液抑菌活性的影响,测定了不同稀释倍数的发酵上清液和脂肽粗提物对栝楼根腐病菌的抑制活性。结果表明,对栝楼根腐病菌抑制活性最高的拮抗菌为SJ1623,种子液培养时间为10 h,0.75%(体积比)的接种量效果较好;发酵上清液稀释10倍对病菌的抑制率为87.6%,脂肽粗提物50倍稀释液对病菌的抑制率为83.1%。

瓜蒌薤白半夏汤对冠心病心绞痛患者PCI术后心肌损伤标志物水平的影响

目的探讨瓜蒌薤白半夏汤对冠状动脉粥样硬化性心脏病(冠心病)心绞痛患者经皮冠状动脉介入治疗(PCI)术后心肌损伤标志物水平的影响。方法选取2022年1月~2023年2月于保定市第一中心医院心内科行PCI的冠心病心绞痛患者98例,随机分为观察组和对照组,每组各49例。对照组术后给予常规西药治疗,观察组在对照组的基础上加用瓜蒌薤白半夏汤。比较两组患者临床疗效、中医证候积分、心肌损伤标志物[肌酸激酶同工酶(CK-MB)、肌钙蛋白T(cTnT)、肌红蛋白(MB)]、生活质量[西雅图心绞痛量表(SAQ)评定]和不良反应率。结果治疗4周后,观察组患者临床疗效高于对照组(P>0.05);两组患者中医证候积分均低于同组治疗前(P<0.05),且观察组低于对照组(P<0.05)。治疗4周后,两组患者CK-MB、cTnT、MB水平均低于同组治疗前(P<0.05),且观察组低于对照组(P<0.05)。治疗4周后,两组患者SAQ各项评分均高于同组治疗前(P<0.05),且观察组高于对照组(P<0.05)。两组患者不良反应率比较无统计学差异(P>0.05)。结论瓜蒌薤白半夏汤可改善冠心病心绞痛患者PCI术后的临床症状,具有减轻心肌损伤、保护心肌的作用。

基于《金匮要略》探讨经方治疗糖尿病肾病

文章探析《金匮要略》方栝蒌瞿麦丸、金匮肾气丸、五苓散对糖尿病肾病的疗效,阅读古书籍以及相关文献资料,总结分析三则经方对糖尿病肾病的疗效及成果。栝蒌瞿麦丸、金匮肾气丸与五苓散治疗糖尿病肾病效果显著,在临床上有很大的应用价值。

瓜蒌瞿麦丸探微

瓜蒌瞿麦丸出自《金匮要略》,因其违反了“十八反”,故医家在临床应用不多。根据条文可知,其主治病证为上燥下寒所致的小便不利。治疗以润上温下为主,方药配伍以寒燥温凉,淡渗补利同施,上中下三焦共治,以达到清上、温下、建中之效。诸药研末,和蜜为丸,以小便利,腹中温为愈。临床上多用于泌尿系统疾患、糖尿病肾病及糖尿病等疾病。

瓜蒌大黄汤对重症肺炎大鼠模型肺肠组织损伤的作用

目的观察瓜蒌大黄汤对重症肺炎大鼠模型肺肠组织损伤的作用。方法制备重症肺炎模型SD大鼠60只,随机分为盐水灌肠组、中药灌肠组,观察两组大鼠24、48、72 h 3个时间点的情况。再取10只健康SD大鼠作为空白组和10只重症肺炎模型大鼠作为模型组,造模成功后立即处死大鼠,采血并取肺、结肠组织。盐水灌肠组及中药灌肠组分别于造模成功后6、18、30、42、54、66 h进行盐水或中药灌肠,分别在24、48、72 h时处死大鼠,采血并取肺、结肠组织。HE染色观察肺肠组织病理损伤情况并评分;ELISA检测血清表面活性蛋白-A(SP-A)、降钙素原(PCT)、C反应蛋白(CRP);Western blotting、免疫荧光方法检测肺、肠组织中SP-A、肿瘤坏死因子-α(TNF-α)的表达。结果病理评分示:盐水灌肠组的肠组织病理评分高于各时间段中药灌肠组(P<0.05);盐水灌肠组的肺组织病理评分与中药灌肠组比较无统计学差异(P>0.05)。ELISA结果示:与空白组比较,模型组CRP、PCT、SP-A均升高(P<0.05);与模型组比较,盐水灌肠组血清CRP、PCT、SP-A各时间段呈升高趋势(P<0.05),中药灌肠组血清CRP、PCT变化不明显(P>0.05),SP-A在48 h至72 h升高(P<0.05);West⁃ern blotting和免疫荧光示:中药灌肠组肺、肠组织SP-A在各时间段呈升高趋势;盐水灌肠组肺、肠组织SP-A变化不明显。Western blotting结果示:与空白组比较,模型组肺、肠组织中TNF-α表达升高(P<0.05);与模型组比较,中药灌肠组肺组织TNF-α在72 h下降,而肠组织TNF-α在48、72 h表达下降(P<0.05);盐水灌肠组肺、肠组织TNF-α在48 h和72 h表达升高(P<0.05)。结论瓜蒌大黄汤灌肠可通过上调重症肺炎大鼠肺、肠组织SP-A的表达,下调TNF-α的表达,减轻炎性因子对肺、肠组织的损伤。

安徽甜瓜和栝楼蔓枯病的病原菌鉴定及其有效药剂筛选

为明确安徽舒城和巢湖地区甜瓜和栝楼蔓枯病的病原菌种类,2021—2022年对该地区的甜瓜和栝楼蔓枯病的病组织进行病原菌的分离和培养,利用柯赫式法则验证其致病性。通过对分离菌株的形态学特征,以及ITS、LSU和TUB2多位点序列分析,确定引起甜瓜及栝楼蔓枯病的病原菌为亚隔孢壳菌Stagonosporopsis citrulli。采用菌丝生长速率法测定了7种杀菌剂对病原菌代表性菌株的室内毒力,结果显示,啶酰菌胺、咪鲜胺对其抑制效果较好,其EC_(50)值在0.010 6~0.043 8μg·mL^(-1),可优先选择这两种药剂进行轮换使用防治该病害。

瓜蒌薤白汤正丁醇部位对Ⅱ型心肾综合征大鼠内质网应激的调控作用

目的:观察瓜蒌薤白汤(Gualou Xiebai Decoction,GXD)正丁醇部位对Ⅱ型心肾综合征大鼠内质网应激的影响,探讨瓜蒌薤白汤对心脏和肾脏的保护作用。方法:32只SPF级健康雄性Wistar大鼠随机分为假手术组、模型组和瓜蒌薤白汤高、低剂量组。除假手术组外,其余各组采用结扎左冠状动脉前降支的方法复制Ⅱ型心肾综合征大鼠模型,灌胃给予相应药物10周后,ELISA法检测血清中NT-proBNP、Cys-C的含量;取心脏、肾脏组织,HE染色观察心脏、肾脏的细胞形态学变化,Masson染色检测组织胶原沉积和纤维化程度;透射电镜观察内质网超微结构;RT-PCR检测心、肾组织Ⅰ、Ⅲ型胶原含量;Western blot检测内质网相关蛋白ATF-6、GRP78、XBP-1s、ATF-4、p-eIF2α、CHOP的表达。结果:与假手术组比较,模型组大鼠血清中NT-proBNP、Cys-C的水平明显升高(P<0.01),瓜蒌薤白汤高、低剂量组较模型组明显降低(P<0.01)。与模型组比较,瓜蒌薤白汤组能显著改善由慢性心衰引起的大鼠心脏、肾脏组织病理学改变;透射电镜观察发现,模型组大鼠内质网肿胀、断裂,核糖体脱落,瓜蒌薤白汤组心脏、肾脏内质网基本恢复正常。RT-PCR结果表明,模型组心脏、肾脏中Ⅰ、Ⅲ型胶原mRNA表达明显高于假手术组,瓜蒌薤白汤高、低剂量组明显低于模型组(P<0.01);瓜蒌薤白汤组内质网相关蛋白ATF-6、GRP78-、XBP-1s、ATF-4、p-eIF2α、CHOP的表达显著低于模型组(P<0.01)。结论:瓜蒌薤白汤对Ⅱ型心肾综合征大鼠心脏、肾脏具有明显的保护作用,且该作用可能与抑制内质网应激有关。

基于TGF-β通路探讨瓜蒌薤白汤对肺纤维化的作用机制

目的探索瓜蒌薤白汤对肺纤维化的作用机制。方法将SPF级SD大鼠分为空白组(Control)、模型组(Mod⁃el)、吡非尼酮组(Pirfenidone 0.15 g·kg^(-1))、瓜蒌薤白汤低剂量组(GLXB-L 2.4 g·kg^(-1))、瓜蒌薤白汤高剂量组(GLXB-H 4.8 g·kg^(-1))。除空白组外,其余各组大鼠采用一次性向气管内滴注博来霉素复制特发性肺纤维化模型。造模第2天,开始灌胃给予各组大鼠相应药物,连续14、28 d。末次给药后,取材。酶联免疫吸附测定法(enzyme-linked immunosorbent assay,ELISA)检测血清和肺泡灌洗液白细胞介素-4(interleukin-4,IL-4)、IL-6、IL-8水平;Masson染色检测大鼠肺组织中胶原纤维和肌纤维;免疫荧光法检测大鼠肺组织TGF-β、α-SMA蛋白表达;实时荧光定量PCR(quantitative real-time PCR,RT-PCR)检测大鼠肺脏TNF-αmRNA、IL-4 mRNA、IL-6 mRNA表达。结果博来霉素致大鼠肺纤维化模型制备成功,瓜蒌薤白汤可降低肺纤维化模型大鼠血清和肺泡灌洗液IL-4、IL-6、IL-8水平,下调肺组织TGF-β、α-SMA蛋白表达,降低TNF-αmRNA、IL-4 mRNA、IL-6 mRNA表达水平,缓解肺组织纤维化病变,且以瓜蒌薤白汤高剂量组效果明显。结论瓜蒌薤白汤可以通过抑制TGF-β信号通路,干预气道炎症反应,减少胶原沉积,从而干预肺纤维化进程。

瓜蒌籽多糖减轻Ⅱ型糖尿病诱导的小鼠肝肾损伤及对肠道菌群的调节作用

该研究探讨了瓜蒌籽多糖(TMSP1)对Ⅱ型糖尿病(T2DM)小鼠肝肾损伤的缓解作用及对小鼠肠道菌群的调节作用。采用热水浸提乙醇沉淀法提取瓜蒌多糖,通过高脂饮食和链脲佐菌素(STZ)建立Ⅱ型糖尿病小鼠模型,测定各组小鼠的脏器指数、血液生化指标及氧化应激水平及肠道菌群等指标。给药4周后,TMSP1低、中、高剂量组小鼠的空腹血糖值(FBG)水平相对于给药1周分别下降24.72%、32.13%和33.22%(P<0.01)。在TMSP1的干预下,T2DM小鼠的总胆固醇(TC)、甘油三酯(TG)、低密度脂蛋白胆固醇(LDL-C)、高密度脂蛋白胆固醇(HDL-C)、白蛋白(ALB)、血尿素氮(BUN)和肌酐(CRE)水平均接近正常水平。16S rRNA测序结果表明,TMSP1改变了糖尿病小鼠的肠道菌群组成和相对丰度,增加了Lactobacillus、Roseburia、Oscillospira、和Ruminococcus等有益菌的丰度。该研究为瓜蒌籽多糖治疗T2DM提供了理论依据。

栝楼籽多糖的提取工艺、初级结构及降血糖活性

为探究栝楼籽多糖的提取工艺、初级结构及降血糖活性,采用热水浸提法对栝楼籽多糖进行提取,经葡聚糖凝胶G-150纯化得到均质多糖(WHP-Ⅰ)后进行了初步表征。通过体外和体内联合法测试了栝楼籽多糖的降血糖活性。得到栝楼籽多糖的最优提取条件为提取温度80℃、提取时间100 min、料液比1∶25 (g∶m L)、浸提1次,在上述条件下,WHP-Ⅰ平均提取率为19.01%。WHP-Ⅰ的重均相对分子质量为4.765×10~4,并含有5种糖残基,WHP-Ⅰ表面较为平整,有孔状结构,且附着有细小的颗粒。WHP-Ⅰ对α-葡萄糖苷酶的半抑制浓度(IC_(50))为15.837 g/L,WHP-Ⅰ具有减缓Ⅱ型糖尿病(T2DM)引起脏器损伤的潜力,给药4周后,中剂量组M-WHP-Ⅰ[200 mg/(kg·bw)]和高剂量组H-WHP-Ⅰ[300 mg/(kg·bw)]小鼠的血糖值分别降低了32.13%和42.27%,且WHP-Ⅰ对糖尿病小鼠的肾脏和肝脏具有修复作用。

瓜蒌提取物对缺血性心肌病大鼠心肌纤维化改善作用的实验研究

目的:观察瓜蒌提取物对缺血性心肌病(ICM)大鼠心肌纤维化的改善作用,并探讨其作用机制。方法:SD大鼠36只,随机分成正常对照组、模型组、瓜蒌提取物组,每组12只。腹腔注射20%氨基甲酸乙酯(5 mg/kg)制备大鼠ICM模型,瓜蒌提取物组灌胃瓜蒌提取物溶液4 g/kg,正常对照组和模型组灌胃相同剂量生理盐水,给药4周,ELISA法检测血清心肌纤维化指标[转化生长因子(TGF)-1β、结缔组织生长因子(CTGF)、半乳糖凝集素(Gal)-3],化学发光法检测氧化应激指标[超氧化物歧化酶(SOD)、丙二醛(MDA)],ELISA法检测炎性因子[白细胞介素(IL)-6,肿瘤、坏死因子(TNF)-α,C反应蛋白(CRP)]。光镜观察各组大鼠心肌组织病理变化。结果:模型组血清TGF-1β、CTGF、Gal-3水平均高于正常组,瓜蒌提取物组TGF-1β、CTGF、Gal-3水平均低于模型组,差异有统计学意义(P<0.05)。模型组血清SOD活性低于正常组,MDA含量高于正常组;瓜蒌提取物组SOD活性高于模型组,MDA含量低于模型组,差异有统计学意义(P<0.05)。模型组血清TNF-α、IL-6、CRP水平高于正常组,瓜蒌提取物组TNF-α、IL-6、CRP水平低于模型组,差异有统计学意义(P<0.05)。Masson染色显示,正常组大鼠心肌组织血管周围见少量均匀分布的胶原纤维。模型组大鼠心肌组织可见大量胶原纤维,且深入组织间隙,分布不均匀,形态杂乱。瓜蒌提取物组心肌组织形态基本正常。结论:瓜蒌提取物能够减轻ICM大鼠心肌纤维化程度,其作用与抗氧化、抗炎作用有关。

栝楼(Trichosanthes Kirilowii Maxim)种子发芽特性的研究

本文研究栝楼种子的发芽特性。结果表明栝楼种子具有休眠特性，其休眠原因由种皮障碍引起。用25～35℃变温发芽可打破其休眠，但浸种48小时的粘接种子产生二次休眠。栝楼种子的最适发芽条件是砂床、25～35℃变温。本文还提出了栝楼种子生活力的快速测定方法。

基于改进YOLOv5算法的瓜蒌分级方法

为解决瓜蒌检测技术存在的检测精度低且检测时间长的问题,提出一种基于改进YOLOv5算法的瓜蒌分级方法YOLOv5-GCB。在主干网络引入Ghost卷积模块替换传统卷积,在保证准确率的同时减少模型的参数量;在特征提取网络和推理层之间添加CA注意力模块,增强模型对空间和通道信息的关注,提高检测精度;在颈部网络中引入双向加权特征金字塔网络(Bi-directional Feature Pyramid Network,BiFPN)替换原始结构,融合不同尺度特征提升多尺度目标的表达能力。结果表明:与原有的YOLOv5模型相比,改进的YOLOv5-GCB算法对瓜蒌等级的检测准确率提高4%,达到95.3%,检测速度达到31.5 fps。该研究提出的算法在保证瓜蒌分级检测准确率的同时拥有更高的识别速度,为实际场景中的瓜蒌分级提供理论研究和技术支持。

大苞栝楼根去苦工艺及安全性评价研究

目的研究去除大苞栝楼根苦味方法,并对精制的大苞栝楼根粉安全性进行评价,为开发利用大苞栝楼根提供依据。方法通过酸水洗涤法去除大苞栝楼根粉的苦味;对精制大苞栝楼根粉的最大耐受量实验和长期用药的毒性实验进行了研究。结果得到的精制大苞栝楼根味淡,几无苦味;小鼠对精制大苞栝楼根粉的MTD>2.0 g/kg,未见明显的毒性反应;连续28 d灌胃给药后和停药14 d后,高、中、低剂量组的大鼠体重、血常规、血液生化学指标、重要脏器系数与正常对照组差异无统计学意义。结论制得的精制大苞栝楼根粉色白,味淡,安全,具有潜在的开发价值。

响应面法优化提取瓜蒌皮中总三萜的研究

目的 探讨用醇提法提取瓜蒌皮中总三萜化合物。方法 以瓜蒌皮为研究对象,以乙醇为溶剂,采用紫外分光光度法对瓜蒌皮中总三萜化合物的含量进行测定。通过单因素实验研究液固比、提取温度、提取时间、乙醇浓度对总三萜提取率的影响,在单因素实验的基础上,采用Box-Behnken Design响应面分析法研究乙醇提取的最佳工艺条件。结果 冷凝回流提取的最佳条件为液固比51 mL/g,乙醇浓度83%、提取时间70 min、提取温度90℃;在此工艺条件下,总三萜的最佳提取率为2.324%。结论 研究结果与预测值基本一致,因此该模型可靠。

基于网络药理学与分子对接探讨瓜蒌薤白半夏汤治疗心绞痛的作用机制

目的:通过网络药理学及分子对接技术探索瓜蒌薤白半夏汤治疗心绞痛的作用机制。方法:使用TCMSP数据库收集瓜蒌薤白半夏汤的有效成分,通过Uniprot数据库匹配有效成分的基因名称。在GeneCards数据库、DrugBank数据库、OMIM数据库、TTD数据库以及DisGeNET数据库中获取疾病相关靶点,绘制韦恩图,找到药物和疾病的共有靶点。在Cytoscape 3.7.1中构建“药物-有效成分-靶点网络”。使用STRING数据库对共有靶点进行蛋白质-蛋白质相互作用网络分析。通过Metascape数据库进行基因本体论(GO)富集分析和京都基因与基因组百科全书(KEGG)信号通路富集分析。分子对接所需的配体与受体文件从PubMed数据库和PDB数据库下载,借助CB-DOCK进行分子对接验证。结果:瓜蒌薤白半夏汤治疗心绞痛的有效成分可能为黄芩素、柚皮素和槲皮素,涉及的核心靶点有丝氨酸/苏氨酸蛋白激酶1 (Akt Serine/Threonine Kinase 1,AKT1)、肿瘤蛋白p53(Tumor Protein p53,TP53)、肿瘤坏死因子(Tumor Necrosis Factor, TNF)、白细胞介素-6 (Interleukin-6,IL-6),主要涉及的信号通路有癌症通路、脂质和动脉粥样硬化、糖尿病并发症中的晚期糖基化终末产物-糖基化终末产物受体信号通路、磷脂酰肌醇3激酶-蛋白激酶B信号通路等。分子对接结果显示各成分与靶点的对接结果良好。结论:本研究通过网络药理学与分子对接技术初步揭示了瓜蒌薤白半夏汤治疗心绞痛的潜在化合物与作用机制,为进一步探索治疗心绞痛的潜在药物提供了新思路。