中国中药杂志

2010, v.35(23) 3211-3215

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治疗慢性肾病中药的计算机药理学研究
In silico pharmacology of Chinese herbs for chronic kidney diseases

朱伟;吴钉红;丘小惠;徐文;
ZHU Wei,WU Dinghong,QIU Xiaohui,XU Wen(Guangdong Hospital of Traditional Chinese Medicine,Guangzhou 510106,China)

摘要(Abstract):

采用分子描述符主成分分析、药代动力学参数预测和毒性预测等计算机药物分子辅助设计技术对治疗慢性肾脏病补益类和攻逐类中药所含化学分子的药理学性质进行研究。结果表明计算机药物分子辅助设计技术可以全面直观地体现补益类和攻逐类中药所含化学分子的结构差异,并快速筛选出一批类药性良好的先导化合物。
Tonifying herbs and evil expeling herbs of traditional Chinese medicine(TCM) for chronic kidney diseases in molecular level were studied by computer aided drug design,including analysis of molecular similarity,predictive ADME simulation and predictive toxic simulation.It was found that this technology could distinguish the structure diversity of compounds from TCM,and screen the lead compounds rapidly.

关键词(KeyWords): 慢性肾脏病;中药;计算机药理
chronic kidney diseases;traditional Chinese medicine(TCM);in silico pharmacology

Abstract:

Keywords:

基金项目(Foundation): 国家自然科学基金项目(81001658);; 广东省自然科学基金项目(9151063201000050);; 广东省中医药局建设中医药强省科研课题(2008334);; 广东省中医院中医药科研专项基金项目(2010015)

作者(Authors): 朱伟;吴钉红;丘小惠;徐文;
ZHU Wei,WU Dinghong,QIU Xiaohui,XU Wen(Guangdong Hospital of Traditional Chinese Medicine,Guangzhou 510106,China)

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