Ionic liquids (ILs) have proven themselves as a new class of anticancer compounds among the scientific community in the 21st century. With proven efficiency of ionic liquids here an attempt has been made on a legacy anticancer compound noscapine. In this study, a library of novel noscapine (Nos) based ionic liquids were synthesized and characterized using various techniques such as ¹H, ¹³C NMR spectroscopy and Mass spectrometry. These novel Nos-based ionic liquids were studied by in silico assays including molecular docking analysis, which showed the [Pip-Nos]OAc and [Pip-Nos]OTf derivatives of Nos-based ionic liquids have high molecular binding with docking score −336.19 kJ/mol and −326.71 kJ/mol, respectively, much higher than the parent compound noscapine (−267.06 kJ/mol). Also, pharmacokinetics and pharmacodynamics properties analyses showed the favorable results with high drug likeliness. The lead compounds were further well validated with in vitro anticancer cytotoxicity assay on HeLa cancer cell line. The in vitro cytotoxicity analysis depicted the high anticancer potency of lead compounds with lower IC₅₀ of acetate and triflate IL derivatives than the parent compound noscapine. In conclusion, the present study paves the way to elucidate the potential anticancer ionic liquids.

离子液体（ILs）在21世纪的科学界中已证明自己是一类新型的抗癌化合物。由于离子液体已被证明具有效率，因此人们尝试了一种传统的抗癌化合物Noscapine。在这项研究中，使用诸如¹ H，¹³ C NMR光谱和质谱等各种技术合成并鉴定了基于新型Noscapine（Nos）的离子液体库。通过计算机研究了这些新型的基于Nos的离子液体包括分子对接分析在内的实验表明，基于Nos的离子液体的[Pip-Nos] OAc和[Pip-Nos] OTf衍生物具有较高的分子结合力，对接分数分别为-336.19 kJ / mol和-326.71 kJ / mol，远远高于母体化合物Noscapine（−267.06 kJ / mol）。同样，药代动力学和药效学性质分析显示了良好的相似度，并获得了令人满意的结果。通过在HeLa癌细胞系上进行的体外抗癌细胞毒性试验进一步验证了前导化合物。在体外细胞毒性分析所描绘的铅化合物的高效力的抗癌具有较低IC ₅₀乙酸盐和三氟甲磺酸盐IL衍生物的含量要高于母体化合物Noscapine。总之，本研究为阐明潜在的抗癌离子液体铺平了道路。