Dehydrodieugenol B and five related natural neolignans were isolated from the Brazilian plant species Nectandra leucantha. Three of these compounds were shown to be active against murine (B16F10) and human (A2058) melanoma cells but non-toxic to human fibroblasts (T75). These results stimulated the preparation of a series of 23 semi-synthetic derivatives in order to explore structure-activity relationships and study the biological potential of these derivatives against B16F10 and A2058 cell lines. These structurally-related neolignan derivatives were analyzed by multivariate statistics and machine learning, which indicated that the most important characteristics were related to their three-dimensional structure and, mainly, to the substituents on the neolignan skeleton. The results suggested that the presence of hydroxyl or alkoxyl groups at positions 3, 4 and 5 (with appropriate sidechains) promoted an increase in electropological and charge density, which seem to be important for biological activity against murine (B16F10) and human (A2058) melanoma cells.

从巴西植物物种Nectandra leucantha中分离了脱氢丁香酚B和五个相关的天然新木脂素。。这些化合物中的三种已显示对鼠（B16F10）和人（A2058）黑色素瘤细胞有活性，但对人成纤维细胞（T75）无毒。这些结果刺激了一系列23种半合成衍生物的制备，以探索结构-活性关系并研究这些衍生物对B16F10和A2058细胞系的生物学潜力。通过多元统计和机器学习对这些与结构相关的新木脂素衍生物进行了分析，结果表明最重要的特征与其三维结构有关，主要与新木脂素骨架上的取代基有关。结果表明，在3、4和5位（带有适当的侧链）的羟基或烷氧基的存在促进了电学和电荷密度的增加，。