中国药物评价2024，Vol.41Issue(3)：251-256,6.
基于网站服务器构建亚硝胺类基因毒性化合物数据库
Construction of A Nitrosamine Genotoxic Compounds Database Based on Web Server
摘要
Abstract
Objective:To create a comprehensive database for nitrosamine impurities,offering researchers easy access to fundamental information,toxicity predictions,and high-resolution mass spectrometry data pertaining to this class of impurities.Methods:Nitrosamine compounds potentially found in pharmaceuticals were gathered.Utilizing databases like PubChem,we enriched the basic information of these compounds.Derek and Sarah were then employed to predict genotoxicity,while QTOF was used to obtain high-resolution mass spec-trometry data.A Java-based website server,following the MTV model,was established to create a data analysis platform,facilitating in-ternet-based data sharing.Results:A user-friendly platform for nitrosamine compounds was successfully developed.This platform pres-ents comprehensive information,genotoxicity predictions,and mass spectrometry data under standard conditions,enabling researchers to quickly grasp compound-related attributes and providing valuable references for subsequent experiments and studies.Conclusion:The es-tablished analytical platform for nitrosamine compounds not only enriches data resources in pharmaceutical safety but also offers data sup-port for drug safety and risk control efforts by delivering standardized analysis results.关键词
亚硝胺/基因毒性/遗传毒性/质谱/数据库Key words
Nitrosamines/Genotoxicity/Genetic toxicity/Mass spectrometry/Database分类
医药卫生引用本文复制引用
胡笑文,王艺璇,徐辉,袁松,陈华,张庆生..基于网站服务器构建亚硝胺类基因毒性化合物数据库[J].中国药物评价,2024,41(3):251-256,6.基金项目
中国食品药品检定研究院关键技术研究基金(GJJS-2022-4-1) （GJJS-2022-4-1）
