Objective:To explore the molecular mechanism of Xuanbai Chengqi Decoction(宣白承气汤)in the treatment of Coronavirus Disease 2019(COVID-19)based on network pharmacology,and to verify by molecular docking technology.Me...Objective:To explore the molecular mechanism of Xuanbai Chengqi Decoction(宣白承气汤)in the treatment of Coronavirus Disease 2019(COVID-19)based on network pharmacology,and to verify by molecular docking technology.Methods:The components and targets of Xuanbai Chengqi Decoction(宣白承气汤)were obtained by TCMSP,targets’information was corrected based on the databases such as UniP rot and DrugBank,and the software Cytoscape3.7.1 was adopted to construct TCM-Component-Target and Component-Target network.The main targets were mapped to the KEGG pathway and the GO biological process with the help of DAVID to further elucidate the potential relationship between the main targets and Xuanbai Chengqi Decoction(宣白承气汤)therapy for COVID-19.In the end,the Swiss Dock platform was adopted for the molecular docking verification of key components and targets.Results:The Component-Target network consists of 35 components and 106 corresponding targets,the main targets include COX-2,NCOA2,PTGS1,HSP90 AB1,PRKACA and PGR,etc.There are 561 GO entries of target mapping(P 0.05),including 155 entries for Biological Processes(BP),147 entries for Cell Composition(CC),and 259 entries for Molecular Function(MF).There are 38 KEGG mapping pathways(P 0.05),including many aspects of infectious disease,immune system and endocrine system,as well as Calcium signaling pathway,VEGF signaling pathway,PI3K-Akt signaling pathway and other processes.Conclusion:The result of molecular docking shows that the affinity of the key components such as beta-sitosterol and stigmasterol are similar to recommended medications for COVID-19.Its effect in the treatment of middle stage of COVID-19 may be related to the blocking of the binding of COVID-19 virus and ACE2,antivirus,and relieving inflammatory storm.展开更多
比较英夫利昔单抗联合甲氨蝶呤或青藤碱治疗类风湿关节炎的临床疗效和安全性。选取2018年1月~2020年1月于南京中医药大学附属医院收治的80例类风湿关节炎患者,将其按照数字表法随机分为A组以及B组,每组40例。两组均采用英夫利昔单抗静...比较英夫利昔单抗联合甲氨蝶呤或青藤碱治疗类风湿关节炎的临床疗效和安全性。选取2018年1月~2020年1月于南京中医药大学附属医院收治的80例类风湿关节炎患者,将其按照数字表法随机分为A组以及B组,每组40例。两组均采用英夫利昔单抗静脉滴注,剂量为3 mg/kg,分别于0,2,6 w注射一次,以后每8 w静注一次。A组加以口服甲氨蝶呤,1次/d,每次5~10 mg。B组加以口服青藤碱,3~4片/次,3次/d。两组均治疗24 w。观察两组患者的临床疗效、症状改善时间,包括晨僵时间、关节肿痛时间、关节肿痛数量、关节压痛时间、VAS评分;检测患者的类风湿因子、红细胞沉降率、C反应蛋白、IL-10、IL-17、干扰素、HMGB1水平。计算患者的不良反应发生率。B组患者的总有效率高于A组,无统计学差异(P>0.05)。两组的症状改善时间以及VAS评分均低于治疗前,在治疗24 w时,B组的晨僵时间(46.13±11.13 vs 55.21±11.92,P<0.05)、关节压痛时间(3.65±1.63 vs 2.56±1.23,P<0.05)、关节肿痛数量(4.1±1.6 vs 2.5±1.1,P<0.05)以及VAS评分(3.73±1.62 vs 2.81±1.73,P<0.05)均显著低于A组。与治疗前相比,两组的风湿因子、红细胞沉降率、C反应蛋白水平、IL-10、IL-17、干扰素IFN-γ、HMGB1在治疗12 w时具有显著的降低。在治疗24 w时,B组的风湿因子(20.21±10.39 vs 28.54±9.21,P<0.05)、红细胞沉降率(23.61±11.23 vs 35.16±13.58,P<0.05)、C反应蛋白水平(7.21±1.94 vs 12.61±3.21,P<0.05)、IL-17水平(2.63±1.98 vs 3.85±1.98,P<0.05)、HMGB1(6.11±1.55 vs9.42±1.81,P<0.05)均显著低于A组。B组于治疗12 w、治疗24 w时的不良反应发生率低于A组,治疗24 w时的不良反应发生率具有统计学差异(42.5%vs 67.5%,P<0.05)。英夫利昔单抗联合青藤碱治疗类风湿关节炎的临床效果优于英夫利昔单抗联合甲氨蝶呤,且前者的临床不良反应发生率更低,安全性良好。展开更多
基金Supported by Wannan Medical College Youth Fund,No.WK201804。
文摘Objective:To explore the molecular mechanism of Xuanbai Chengqi Decoction(宣白承气汤)in the treatment of Coronavirus Disease 2019(COVID-19)based on network pharmacology,and to verify by molecular docking technology.Methods:The components and targets of Xuanbai Chengqi Decoction(宣白承气汤)were obtained by TCMSP,targets’information was corrected based on the databases such as UniP rot and DrugBank,and the software Cytoscape3.7.1 was adopted to construct TCM-Component-Target and Component-Target network.The main targets were mapped to the KEGG pathway and the GO biological process with the help of DAVID to further elucidate the potential relationship between the main targets and Xuanbai Chengqi Decoction(宣白承气汤)therapy for COVID-19.In the end,the Swiss Dock platform was adopted for the molecular docking verification of key components and targets.Results:The Component-Target network consists of 35 components and 106 corresponding targets,the main targets include COX-2,NCOA2,PTGS1,HSP90 AB1,PRKACA and PGR,etc.There are 561 GO entries of target mapping(P 0.05),including 155 entries for Biological Processes(BP),147 entries for Cell Composition(CC),and 259 entries for Molecular Function(MF).There are 38 KEGG mapping pathways(P 0.05),including many aspects of infectious disease,immune system and endocrine system,as well as Calcium signaling pathway,VEGF signaling pathway,PI3K-Akt signaling pathway and other processes.Conclusion:The result of molecular docking shows that the affinity of the key components such as beta-sitosterol and stigmasterol are similar to recommended medications for COVID-19.Its effect in the treatment of middle stage of COVID-19 may be related to the blocking of the binding of COVID-19 virus and ACE2,antivirus,and relieving inflammatory storm.
文摘比较英夫利昔单抗联合甲氨蝶呤或青藤碱治疗类风湿关节炎的临床疗效和安全性。选取2018年1月~2020年1月于南京中医药大学附属医院收治的80例类风湿关节炎患者,将其按照数字表法随机分为A组以及B组,每组40例。两组均采用英夫利昔单抗静脉滴注,剂量为3 mg/kg,分别于0,2,6 w注射一次,以后每8 w静注一次。A组加以口服甲氨蝶呤,1次/d,每次5~10 mg。B组加以口服青藤碱,3~4片/次,3次/d。两组均治疗24 w。观察两组患者的临床疗效、症状改善时间,包括晨僵时间、关节肿痛时间、关节肿痛数量、关节压痛时间、VAS评分;检测患者的类风湿因子、红细胞沉降率、C反应蛋白、IL-10、IL-17、干扰素、HMGB1水平。计算患者的不良反应发生率。B组患者的总有效率高于A组,无统计学差异(P>0.05)。两组的症状改善时间以及VAS评分均低于治疗前,在治疗24 w时,B组的晨僵时间(46.13±11.13 vs 55.21±11.92,P<0.05)、关节压痛时间(3.65±1.63 vs 2.56±1.23,P<0.05)、关节肿痛数量(4.1±1.6 vs 2.5±1.1,P<0.05)以及VAS评分(3.73±1.62 vs 2.81±1.73,P<0.05)均显著低于A组。与治疗前相比,两组的风湿因子、红细胞沉降率、C反应蛋白水平、IL-10、IL-17、干扰素IFN-γ、HMGB1在治疗12 w时具有显著的降低。在治疗24 w时,B组的风湿因子(20.21±10.39 vs 28.54±9.21,P<0.05)、红细胞沉降率(23.61±11.23 vs 35.16±13.58,P<0.05)、C反应蛋白水平(7.21±1.94 vs 12.61±3.21,P<0.05)、IL-17水平(2.63±1.98 vs 3.85±1.98,P<0.05)、HMGB1(6.11±1.55 vs9.42±1.81,P<0.05)均显著低于A组。B组于治疗12 w、治疗24 w时的不良反应发生率低于A组,治疗24 w时的不良反应发生率具有统计学差异(42.5%vs 67.5%,P<0.05)。英夫利昔单抗联合青藤碱治疗类风湿关节炎的临床效果优于英夫利昔单抗联合甲氨蝶呤,且前者的临床不良反应发生率更低,安全性良好。
