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

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。FDA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。

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-commercial 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.