基于分子对接技术探讨刺玫果对急性心肌缺血的保护作用及其有效成分  

Protection of Rosa davurica pall.against acute myocardial ischemia and its active ingredients based on molecular docking

作　　者：于晓瑾[1] 张萌[1] 刘采艳 王硕 舒尊鹏 杨连荣[1] YU Xiao-jin;ZHANG Meng;LIU Cai-yan;WANG Shuo;SHU Zun-peng;YANG Lian-rong(Heilongjiang University of Chinese Medicine,Harbin 150040;Guangdong Pharmaceutical University,Guangzhou 510006)

机构地区：[1]黑龙江中医药大学,哈尔滨150040 [2]广东药科大学,广州510006

出　　处：《中南药学》2023年第5期1263-1269,共7页Central South Pharmacy

基　　金：国家自然科学基金项目(No.82174043)。

摘　　要：目的研究刺玫果乙酸乙酯、正丁醇、水3个提取部位对急性心肌缺血小鼠心肌损伤的保护作用,并采用分子对接技术筛选刺玫果中抗急性心肌缺血的活性成分。方法将小鼠随机分为6组,包括空白组、模型组、生脉饮组、乙酸乙酯组、正丁醇组、水组,连续灌胃给药15 d,在第14、15日腹腔注射盐酸异丙肾上腺素(ISO),建立急性心肌缺血模型,考察刺玫果3个部位对小鼠急性心肌缺血时心率与ST段的影响,并检测小鼠血清和心肌组织中相关指标。然后,从相关文献中确定10个刺玫果各组分的化学成分,通过AutoDockTools软件与6个心肌缺血相关靶标进行对接,根据对接情况筛选活性成分。结果刺玫果乙酸乙酯、正丁醇和水部位均可降低模型小鼠心率、减轻ST段下移现象,降低模型小鼠血清心肌酶的活性,同时使心肌中总超氧化物歧化酶(T-SOD)与过氧化氢酶(CAT)活性升高,丙二醛(MDA)含量降低,且乙酸乙酯组与正丁醇组还能纠正乳酸脱氢酶(LDH)水平的升高与还原性谷胱甘肽(GSH)的减少。而刺玫果中的10个成分与心肌缺血相关蛋白都产生较好结合,其中化合物的结合程度高低顺序为齐墩果酸>熊果酸>木犀草素>槲皮素>原花青素B2>没食子酸>金丝桃苷>橙皮苷>银椴苷>芦丁。结论刺玫果对ISO所致急性心肌缺血有保护作用,以刺玫果乙酸乙酯萃取物和正丁醇萃取物效果最佳,且初步推断刺玫果抗急性心肌缺血的有效成分为三萜类、黄酮类、多酚类。Objective To determine the protective effect of the ethyl acetate extract,n-butanol extract and water extract of Rosa davurica pall.on acute myocardial ischemic injury in mice,and to screen the active components of Rosa davurica pall.based on molecular docking.Methods Mice were randomly divided into 6 groups:a blank group,a model group,a shengmaiyin group,an ethyl acetate group,an n-butanol group and a water group.The four groups were given relevant medicine intragastrically,while the blank control group and the model group were given constant volume of water intragastrically,all for 15 consecutive days.The model of acute myocardial ischemia was established by intraperitoneal injection of isoprenaline on the 14th and 15th day to determine the effect of the three extracts of Rosa davurica pall.on the heart rate and ST segment in mice with acute myocardial ischemia,and to detect the related indexes in the serum and the myocardial tissue of mice.Then,10 chemical components in Rosa davurica pall.were determined from relevant literatures.Six targets related to myocardial ischemia were docked by AutoDockTools software,and the active components were screened according to the docking.Results The ethyl acetate extract,n-butanol extract and water extract of Rosa davurica pall.significantly reduced the heart rate,the ST segment depression and the activities of serum myocardial enzymes in the mice with acute myocardial ischemia.The three extracts of Rosa davurica pall.significantly increased the activities of total superoxide dismutase and catalase,decrease the content of malondialdehyde in the mice.Meanwhile,the ethyl acetate extract and n-butanol extract of Rosa davurica pall.also corrected the elevation of lactate dehydrogenase activity and the reduction of glutathione content in the mice.The 10 components in Rosa davurica pall.and myocardial ischemia-related proteins bound equally well,the order of binding being oleanolic acid>ursolic acid>luteolin>quercetin>proanthocyanidin B2>gallic acid>hyperoside>hesperidin>tilirosid

关 键 词：刺玫果 急性心肌缺血 分子对接 

分 类 号：R285[医药卫生—中药学]