In targeted therapy of breast cancer, human epidermal growth factor receptor 2 HER2 (PDB ID: 3PP0) is being considered as a promising route to design novel anti-breast cancer drugs. In this work, we report two of novel N-substituted pyrrolidine at C-8 position of quinolone derivatives 18 and 19, their synthesis under microwave technique, spectral methods, molecular docking study and anti-HIV activities. Docking study exhibited hydrogen bonding, polar, and Van der Waals interactions with the active site residues of HER2 target. The binding energy and hydrogen bonding interactions show that synthesized compounds are being considered to have a potential activity against breast cancer. In addition, quinolone derivatives were evaluated in vitro for antiviral activity against the replication of HIV-1 and HIV-2 in MT-4 cells. The results showed that quinolone derivatives 18 and 19 possess a potent activity against HIV-1 replication with IC₅₀ values of ≥15.20 and 14.26 μM, SI ≤ 6 and >7, respectively.

中文翻译：

---

某些药物样喹诺酮衍生物的微波辅助合成，分子对接和抗HIV活性

在乳腺癌的靶向治疗中，人类表皮生长因子受体2 HER2（PDB ID：3PP0）被认为是设计新型抗乳腺癌药物的有希望的途径。在这项工作中，我们报告了在喹诺酮衍生物18和19的C-8位上的两个新的N-取代的吡咯烷，它们在微波技术，光谱方法，分子对接研究和抗HIV活性下的合成。对接研究显示了与HER2靶的活性位点残基的氢键，极性和范德华相互作用。结合能和氢键相互作用表明合成的化合物被认为具有抗乳腺癌的潜在活性。此外，在体外评估了喹诺酮衍生物对MT-4细胞中HIV-1和HIV-2复制的抗病毒活性。结果表明，喹诺酮衍生物18和19具有有效的抗HIV-1复制活性，IC ₅₀值分别≥15.20和14.26μM，SI≤6和> 7。