摘要
利用分子对接技术对鄂产党参中抗炎活性成分进行筛选。在TCMSP数据库中搜索其主要化学成分,应用Sybyl软件将化学成分与炎症相关的5个靶点进行分子对接,通过对接打分函数筛选出活性成分。采用Discovery Studio、Pymol软件分析蛋白复合体的相互作用力,筛选出具有较好结合活性的化合物10个,且具有多靶标活性。检测化合物党参二炔苷L和党参乙醇提取物对细胞中一氧化氮的影响,进一步验证抗炎活性。
Screening of anti-inflammatory active components in Codonopsis pilosula produced in Hubei Province by using molecular docking technology.The main chemical components were searched in the TCMSP databases,and molecularly docked with 5 tumor related protein using SYBYL software.The active ingredients were screened based on the docking scoring function.The interaction force of protein complexes were analyzed by Discovery studio and Pymol software,and ten active compounds with good binding activity and multi-target activity were screened out.The effects of compound codonopilodiynoside L and ethanol extract on nitric oxide(NO)in cells were detected to further verify the anti-inflammatory activity.
作者
袁桥玉
刘新桥
Yuan Qiaoyu;Liu Xinqiao(Wuhan Polytechnic,School of Bioengineering,Wuhan,Hubei,430074,China;South-Central University for Nationalities,School of Pharmaceutical Sciences,Wuhan,Hubei,430074,China)
出处
《武汉职业技术学院学报》
2024年第4期59-64,共6页
Journal of Wuhan Polytechnic
基金
2023年武汉职业技术学院校级项目“鄂产党参调控MIF/ERK信号通路的抗炎活性成分及作用机制研究”(项目编号:2023YK003)。
关键词
鄂产党参
抗炎活性
分子对接
多靶点
一氧化氮
Codonopsis tangshen Oliv
anti-inflammation
molecular docking
multi-targt
Nitric oxide
