a Center for Genic and Cellular Therapies in Cancer Treatment , Timisoara , Romania.
b Faculty of Chemistry, Biology, Geography, Department of Biology-Chemistry , West University of Timisoara , Timisoara , Romania.
J Environ Sci Health B. 2019;54(6):498-504. doi: 10.1080/03601234.2019.1574176. Epub 2019 Feb 8.
The present study attempted to evaluate the carcinogenicity of natural phenolic compounds with previously demonstrated antifungal activity, using a computational structure-cytotoxicity approach, namely the quantum structure cytotoxicity relationship model. The cytotoxicity of 15 phenolic compounds with antiviral activity 96 h after treatment was studied using the AdmetSAR computational program. Per the EPA classification, four of the investigated compounds would be included in the second cytotoxicity category, four in the third category, and six showed no toxicity, rendering the studied natural phenolic compounds much less toxic to aquatic life than synthetic pesticides, the organophosphorus compounds, which mostly fall into the first and second categories of toxicity.
本研究试图使用计算结构-细胞毒性方法，即量子结构细胞毒性关系模型，评估先前表现出抗真菌活性的天然酚类化合物的致癌性。使用 AdmetSAR 计算程序研究了 15 种具有抗病毒活性的酚类化合物处理 96 小时后的细胞毒性。根据 EPA 分类，在所研究的化合物中，有四种属于第二类毒性，四种属于第三类毒性，还有六种没有毒性，这表明研究中的天然酚类化合物对水生生物的毒性远小于合成农药，有机磷化合物大多属于第一类和第二类毒性。
