非商用(Q)SAR软件在药物遗传毒性杂质评估中的应用
Application of Non-Commercial(Q)SAR Software in the Assessment of Genotoxic Impurities
李杰 1江娟 2丁锐 2喻欢欢3
作者信息
- 1. 西南药业股份有限公司 重庆市工业和信息化重点实验室,重庆 400038
- 2. 成都与康科技有限公司,成都 610000
- 3. 重庆市食品药品检验检测研究院 国家药品监督管理局麻醉精神药品质量监测重点实验室,重庆 401121
- 折叠
摘要
目前国内外法规均要求对药物遗传毒性杂质进行控制,当缺乏致突变、致癌性数据时,制药企业大多以商业软件对杂质进行评估,评估费用高昂.FD A推荐了非商用的评估软件,并接受其评估结果,本文对非商用评估软件进行介绍,并以实例对商用与非商用软件预测结果进行对比评价,结果表明所测非商用软件预测结果具有一定参考价值,其参考使用或可节省成本.
Abstract
At present,both domestic and foreign regulations require the control of genotoxic impurities in drugs.When there is a lack of mutagenicity and carcinogenicity data,pharmaceutical companies mostly use commercial softwares to evaluate impurities,which is expensive.FDA has recommended a non-com-mercial evaluation software and accepted its evaluation results.This article introduces the non-commercial evaluation software and evaluates the prediction results of commercial and non-commercial softwares through examples.The results show that the prediction results of the non-commercial software has certain reference value and can be promoted for use to save enterprise costs.
关键词
杂质/遗传毒性/(定量)构效关系/警示结构/非商用/替米沙坦Key words
Impurities/Genotoxicity/(Quantitative)Structure-Activity Relationships/Alert structure/Non-commercial/Telmisartan引用本文复制引用
基金项目
重庆市自然科学基金博士后科学基金项目(cstc2021jcyjbshX0031)
出版年
2024
NETL
NSTL
万方数据