论文部分内容阅读
目的:探讨利用防治哮喘的常用化学药物结构信息筛选活性中药。方法:以Drugbank数据库中具有明确治疗哮喘的活性化学药物为基础,以活性片段搜索和结构相似性搜索为筛选方法,获得具有防治哮喘的中药成分;追溯活性成分的来源中药,并结合中医防治哮喘的治法治则,探讨进行组方。结果:以36个作用于8个靶点的化学药物为基础,通过活性片段搜索获得62个药效成分,相似性搜索获得10个药效成分,总计72个药效成分来自39个常用中药,包括麻黄、半夏、细辛、生姜、地龙、甘草、麦冬、紫菀和吴茱萸等已被证明具有抗哮喘作用的中药;结合热哮清热宣肺,化痰降逆;寒哮温肺散寒,化痰平喘的中医治法治则,分别探讨组合了麻黄、半夏、生姜、甘草和麻黄、地龙、甘草两个作用于多靶点整体治疗的方剂。结论:应用片段搜索和相似性搜索的方法进行中药的发现研究具有一定的可行性。
Objective: To explore the use of common chemical drug structure information for prevention and treatment of asthma screening of active traditional Chinese medicine. Methods: Based on the Drugbank database with active chemical drugs with definite treatment of asthma, the search of active fragments and structural similarity search were used as the screening methods to obtain Chinese medicine components with anti-asthma treatment. The traditional Chinese medicine The rule of law, to discuss the party. Results: Based on 36 chemical drugs acting on 8 targets, 62 active ingredients were screened and 10 effective ingredients were obtained by similarity search. A total of 72 active ingredients were obtained from 39 commonly used traditional Chinese medicines. Including ephedra, pinellia, asarum, ginger, earthworm, licorice root, Ophiopogon japonicus, aster and Evodia have been proven with anti-asthma effect of traditional Chinese medicine; combined with hot asthma heat Xuanfei, phlegm Jiangni; Cold, phlegm and anti-asthma rule of the rule of traditional Chinese medicine were discussed combination of ephedra, pinellia, ginger, licorice and ephedra, earthworm, licorice two multi-target role in the overall treatment of the prescription. Conclusion: It is feasible to apply the method of segment search and similarity search to the discovery of traditional Chinese medicine.