中国临床药理学杂志2017，Vol.33Issue(18)：1800-1802,3.DOI:10.13699/j.cnki.1001-6821.2017.18.019
基于计算毒理学的浙贝甲素口服毒性的预测研究
Prediction study of oral toxicity for peimine by computational toxicology
摘要
Abstract
Objective To predict of oral toxicity for peimine by computational toxicology.Methods First,the structure file of peimine was downloaded from the PubChem database.Then,it was uploaded to the PROTOX(Prediction of Rodent Oral Toxicity) web server to predict the oral toxicity via the similarity searching method.Results The predictive value of median lethal dose (LD50) for peimine is 3500 mg· kg-1 in rodents,which belong to the fifth level in the Globally Harmonized System of Classification and Labelling of Chemicals(GHS) classification.Moreover,peimine can bind with the key residues of androgen receptor and amine oxidase A respectively.Conclusion Computational toxicology provides an efficient method for drug safety evaluation of peimine or other active compounds.关键词
浙贝甲素/半数致死量/雄激素受体/单胺氧化酶A/计算毒理学Key words
peimine/median lethal dose/androgen receptor/amine oxidase A/computational toxicology分类
医药卫生引用本文复制引用
陈少军,王翰华,崔明超,凌庆枝..基于计算毒理学的浙贝甲素口服毒性的预测研究[J].中国临床药理学杂志,2017,33(18):1800-1802,3.基金项目
浙江省自然科学基金资助项目(LY15H280009) （LY15H280009）
浙江省中医药科技计划基金资助项目(2010ZB132) （2010ZB132）
宁波市自然科学基金资助项目(2015A610290) （2015A610290）
浙食药研究会基金资助项目(ZYH2016001) （ZYH2016001）
