癌症是一种多因素疾病，且持续增加。木脂素被认为是重要的抗癌剂。然而，由于木脂素的结构多样性，很难将抗癌活性与特定亚类联系起来。因此，本研究旨在评估木脂素亚类与抗肿瘤活性的关联，考虑所选靶点变异体的遗传特征。为此，针对靶点酪氨酸蛋白激酶ABL（ABL）、表皮生长因子受体erbB1（EGFR）、组蛋白脱乙酰化酶（HDAC）、丝氨酸/苏氨酸蛋白激酶mTOR（mTOR）和多聚腺苷二磷酸核糖聚合酶-1（PARP1）等，建立了预测模型。然后，对单核苷酸多态性进行了映射，设计了靶点突变，并与预测的生物活性最好的木脂素进行分子对接。结果显示，二苯环辛二烯、呋喃呋喃和芳基四萜亚类具有更多的抗癌活性。具有最佳生物活性预测值的木脂素在特定基因变异的存在下，显示了不同的结合能结果。

Cancer is a multifactorial disease that continues to increase. Lignans are known to be important anticancer agents. However, due to the structural diversity of lignans, it is difficult to associate anticancer activity with a particular subclass. Therefore, the present study sought to evaluate the association of lignan subclasses with antitumor activity, considering the genetic profile of the variants of the selected targets. To do so, predictive models were built against the targets tyrosine-protein kinase ABL (ABL), epidermal growth factor receptor erbB1 (EGFR), histone deacetylase (HDAC), serine/threonine-protein kinase mTOR (mTOR) and poly [ADP-ribose] polymerase-1 (PARP1). Then, single nucleotide polymorphisms were mapped, target mutations were designed, and molecular docking was performed with the lignans with the best predicted biological activity. The results showed more anticancer activity in the dibenzocyclooctadiene, furofuran and aryltetralin subclasses. The lignans with the best predictive values of biological activity showed varying binding energy results in the presence of certain genetic variants.