Herein, we have reported the synthesis of 18 novel 8-substituted tryptanthrin analogues based on our earlier work. All these tryptanthrin analogues were well characterized by ¹H & ¹³C NMR, FT-IR, Mass Spectrometry and Elemental Analysis. All these 8-substituted analogues were screened for their anti-oxidant activity by DPPH radical scavenging assay. Out of all the tested compounds, T¹¹, T¹², T¹⁷ and T¹⁸ showed potent anti-oxidant activity. The anti-cancer activity have been performed by using MTT assay protocol and their results depicts that compounds having the 4-pyridyl or 4-carboxyphenyl substituents at the 8th position of the tryptanthrin framework are found to be the most promising cytotoxic agent against A549, MCF-7 and HeLa human cancer cell lines compared to others as well as with the standard drug cisplatin. Moreover, the comparative molecular docking studies against the three protein receptors IDO1, EGFR and HER2 strongly suggested that IDO1 is the best target protein, which exhibits lowest binding energies of −11.73 and −11.61 kcal mol⁻¹ for T¹¹ and T¹² scaffolds, respectively towards the in vitro anti-cancer activity.

在此，我们报告了基于我们早期工作的 18 种新型 8 取代色氨酸类似物的合成。所有这些色氨酸类似物都通过¹ H 和¹³ C NMR、FT-IR、质谱和元素分析进行了很好的表征。通过DPPH自由基清除试验筛选所有这些8-取代类似物的抗氧化活性。在所有测试化合物中，T ¹¹、T ¹²、T ¹⁷和T ¹⁸显示出强大的抗氧化活性。已通过使用 MTT 测定方案进行了抗癌活性，其结果表明，在色氨酸框架的第 8 位具有 4-吡啶基或 4-羧基苯基取代基的化合物被发现是最有希望的抗 A549、MCF 细胞毒剂-7 和 HeLa 人类癌细胞系与其他细胞系以及与标准药物顺铂的比较。此外，针对三种蛋白质受体 IDO1、EGFR 和 HER2 的比较分子对接研究强烈表明 IDO1 是最佳靶蛋白，其对T ¹¹和T ¹²支架的结合能最低，分别为 -11.73 和 -11.61 kcal mol ^-1，分别对体外 抗癌活性。