3-Acetyldeoxynivalenol (3-AcDON) and 15-acetyldeoxynivalenol (15-AcDON) are converted to deoxynivalenol (DON) in vivo and their simultaneous presence may increase DON intake. Mixtures of DON and its derivatives are a public health concern. In this study DON, 3-AcDON and 15-AcDON were evaluated in vitro and in silico. The in vitro cytotoxicity of DON and its derivatives individually and combined was determined by the Neutral Red (NR) assay in human hepatocarcinoma (HepG2) cells. The concentrations tested were from 1.25 to 15 μM (DON) and from 0.937 to 7.5 μM (DON derivatives). The IC₅₀ values were from >15 to 2.55 μM (DON), from 1.77 to 1.02 μM (3-AcDON), and from 4.05 to 1.68 μM (15-AcDON). 3-AcDON was the most cytotoxic molecule in HepG2 cells. The concentrations tested in combinations ranged from 0.5625 to 4.5 μM (DON), and from 0.094 to 0.75 μM (DON derivatives), with ratios of 1:6 (DON+3-AcDON and DON+15-AcDON), 1:1 (3-AcDON+15-AcDON) and 1:6:6 (DON+3-AcDON+15-AcDON). The DON+15-AcDON mixture exhibited additive effects, while the rest showed synergistic effects. In silico methods assess individual mycotoxins. Absorption, Distribution, Metabolism, Excretion and Toxicity of mycotoxins were predicted using in silico SwissADME tools. Absorption, Distribution, Metabolism and Excretion profile prediction shows high gastrointestinal absorption and CYP3A4 mediated metabolism.

3-乙酰基脱氧雪茄烯醇（3-AcDON）和15-乙酰基脱氧雪茄烯醇（15-AcDON）在体内转化为脱氧雪茄烯醇（DON），并且它们的同时存在可能会增加DON的摄入量。DON及其衍生物的混合物是公共卫生问题。在这项研究中，对DON，3-AcDON和15-AcDON进行了体外和计算机评估。在体外DON及其衍生物单独和组合的细胞毒性通过在人肝癌（HepG2细胞）细胞的中性红（NR）测定法测定。测试的浓度为1.25至15μM（DON）和0.937至7.5μM（DON衍生物）。IC ₅₀值从> 15至2.55μM（DON），从1.77至1.02μM（3-AcDON）和从4.05至1.68μM（15-AcDON）。3-AcDON是HepG2细胞中最具细胞毒性的分子。组合测试的浓度范围为0.5625至4.5μM（DON），以及0.094至0.75μM（DON衍生物），比例为1：6（DON + 3-AcDON和DON + 15-AcDON），1：1（ 3-AcDON + 15-AcDON）和1：6：6（DON + 3-AcDON + 15-AcDON）。DON + 15-AcDON混合物表现出加和作用，其余表现出协同作用。计算机方法评估单个真菌毒素。使用计算机预测真菌毒素的吸收，分布，代谢，排泄和毒性SwissADME工具。吸收，分布，代谢和排泄曲线预测显示高胃肠道吸收和CYP3A4介导的代谢。