基于分子对接及实验验证探讨骨碎补总黄酮与脂肪因子结合防治绝经后骨质疏松症的作用机制  

Study on the Mechanism of Preventing and Treating Postmenopausal Osteoporosis by the Combination of Total Flavonoids of Gusuibu(Rhizoma Drynariae)and Adipokines Based on Molecular Docking and Experimental Verification

作　　者：吴睿哲 吴洁 刘凯 葛殊玮 伍强 王凡[1] 曾景奇[1] WU Ruizhe;WU Jie;LIU Kai;GE Shuwei;WU Qiang;WANG Fan;ZENG Jingqi(The Second Affiliated Hospital of Hunan University of Chinese Medicine,Changsha Hunan 410005,China;Ningxiang Hospital of Traditional Chinese Medicine,Ningxiang Hunan 410601,China)

机构地区：[1]湖南中医药大学第二附属医院,湖南长沙410005 [2]宁乡市中医院,湖南宁乡410601

出　　处：《中医药导报》2022年第6期30-34,共5页Guiding Journal of Traditional Chinese Medicine and Pharmacy

基　　金：湖南省中医药管理局科研计划(201860);湖南省中医药管理局科研计划(201862);湖南省中医骨伤临床医学研究中心(2020SK4013)。

摘　　要：目的:通过分子对接技术及动物实验探究骨碎补总黄酮与脂肪因子结合防治绝经后骨质疏松症的作用机制。方法:从TCMSP数据库中筛选骨碎补总黄酮的有效成分,使用Autodook Tools对有效成分与脂联素(ADP)、瘦素(LEP)进行分子对接计算;将40只雌性SD大鼠按随机数字表法分为空白组、模型组、西药组、中药组,每组10只。采用背侧入路双侧卵巢摘除手术构造去势大鼠模型,造模2个月后连续给予相应药物干预12周,使用双能X线骨密度仪测定骨密度(BMD);采用ELISA法检测各组大鼠血清ADP、LEP、雌二醇(E_(2))水平。结果:分子对接结果提示骨碎补总黄酮有效成分中有6种成分与LEP具有较好的结合活性,有8种成分与ADP具有较好的结合活性。动物实验研究表明,与空白组比较,模型组大鼠BMD及血清E_(2)、ADP、LEP含量均明显降低(P<0.05);与模型组比较,中药组和西药组大鼠BMD及血清E_(2)含量均明显升高(P<0.05),西药组大鼠血清LEP含量明显升高(P<0.01),中药组大鼠ADP含量明显降低(P<0.01);与西药组比较,中药组大鼠血清E_(2)、LEP、ADP含量均明显降低(P<0.01),而中药组大鼠BMD与西药组比较,差异无统计学意义(P>0.05)。结论:骨碎补总黄酮可能通过改善E_(2)分泌、调控ADP的表达、延缓BMD的流失来防治绝经后骨质疏松症。Objective:To explore the mechanism of total flavonoids of Rhizoma Drynariae(TFRD)combined with adipokines in the prevention and treatment of postmenopausal osteoporosis through molecular docking technique and animal experiments.Methods:The effective components of TFRD was scrrened from TCMSP database,and Autodook tools was used to calculate the molecular docking of the effective components with adiponectin(ADP)and leptin(LEP).40 female SD rats were randomly divided into blank group,model group,western medicine group and traditional Chinese medicine group,with 10 rats in each group.The ovariectomized rat model was established by bilateral ovariectomy through dorsal approach.After 2 months of modeling,corresponding drugs were given for 12 weeks.Bone mineral density(BMD)was measured by dual energy X-ray absorptiometry.The levels of serum ADP,LEP and estradiol(E_(2))were detected by ELISA.Results:The results of molecular docking showed that 6 components of TFRD had good binding activity with LEP,and 8 components of them had good binding activity with ADP.The animal experimental studies showed that compared with the blank group,the BMD and the contents of E_(2),ADP and LEP in serum of the model group were significantly lower(P<0.05).Compared with the model group,the content of BMD and E_(2) in serum of rats in traditional Chinese medicine group and Western medicine group increased significantly(P<0.05),the content of LEP in the Western medicine group was significantly increased(P<0.01),and the content of ADP in the traditional Chinese medicine group was significantly decreased(P<0.01).Compared with the Western medicine group,the content of E_(2),LEP and ADP in serum of rats in traditional Chinese medicine group was significantly decreased(P<0.01),but there was no significant difference in BMD between the traditional Chinese medicine group and the Western medicine group(P>0.05).Conclusion:TFRD can prevent and treat postmenopausal osteoporosis by improving the secretion of E_(2),regulating the expression of ADP and dela

关 键 词：骨碎补总黄酮 绝经后骨质疏松症 脂肪因子 分子对接 大鼠 

分 类 号：R285.5[医药卫生—中药学]