基于CK抑制剂虚拟筛选的补骨脂盐炙工艺研究  

Study on Technology of Psoralea Corylifolia L.Processed with Salt Based on Virtual Screening of CK Inhibitors

作　　者：范冰冰 韩宇[2] 仲人中 郭晏华[2] 马壮 Fan Bingbing;Han Yu;Zhong Renzhong;Guo Yanhua;Ma Zhuang(Jinzhou Medical University,Jinzhou 121000 China;Liaoning University of Traditional Chinese Medicine,Shenyang 110847 China)

机构地区：[1]锦州医科大学,辽宁锦州121000 [2]辽宁中医药大学,辽宁沈阳110847

出　　处：《锦州医科大学学报》2022年第6期26-31,共6页Journal of Jinzhou Medical University

基　　金：高等学校博士学科点专项科研基金项目,项目编号:20132133110006。

摘　　要：目的完善补骨脂的盐炙生产工艺技术。方法基于构型的虚拟筛选方法,采行DOCK 6.0软件,引用组织蛋白酶K(cathepsin K,CK)的三维结构活性位点和中药补骨脂中的化合物进行对接,找寻补骨脂中存在的CK抑制剂。以闷润时间、炒炙时间、炒炙温度为调研指标,以高效液相色谱(high performance liquid chromatography,HPLC)法测定抑制CK的成分含量为评分指标,选用星点设计-效应面法(central composite design-response surface methodology,CCD-RSM)甄选补骨脂盐炙最佳工艺技术。结果补骨脂素、补骨脂甲素与CK具有较高亲和力。认为10.22 h的闷润时间、12 min的炒炙时间、171℃的炒炙温度为补骨脂最佳盐炙工艺条件。结论甄选的补骨脂盐炙生产工艺操作简便,重复性良好,为补骨脂盐炙工艺的下一阶段研究及广泛应用提供科学的理论依据。Objective To optimize the technology of Psoralea corilyfolia L.processed with salt.Methods Based on the virtual screening method of architecture,DOCK6.0 software was adopted,and the three-dimensional structure active site of cathepsin K(CK)was referenced to the compounds in Psoralea corylifolia L.for docking,so as to find CK inhibitors in Psoralea corylifolia L..The soaking time,stir-frying time and stir-frying temperature were used as the investigation indexes,the content of CK inhibitory components was determined by high performance liquid chromatography(HPLC)as the scoring indexes and Central Composite Design-Response Surface Methodology(CCD-RSM)was used to select the best technology of Psoralea corylifolia L.with salt.Results Psoralen and bavachin had high affinity with CK.The optimum conditions for salting psoralea were the soaking time of 10.22 h,stir-frying time of 12 min and stir-frying temperature of 171℃.Conclusion The selected processing process of Psoralea corylifolia L.with salt is simple to operate and has good repeatability,which provides a scientific theoretical basis for the next stage of research and extensive application of psoralea salting process.

关 键 词：补骨脂 组织蛋白酶K 虚拟筛选 盐炙工艺 星点设计-效应面法 

分 类 号：R283[医药卫生—中药学]