Munir Iqra, Batool Zahra, Khan Faizullah, Hussain Javid, Khan Ajmal, Mali Suraj N, Radhakrishnan Vishnu Vasanthi, Mathew Bijo, Almutairi Tahani Mazyad, Al-Harrasi Ahmed, Akram Muhammad Safwan, Shafiq Zahid
Institute of Chemical Sciences, Bahauddin Zakariya University Multan-60800 Pakistan
Department of Pharmacy, Abdul Wali Khan University Mardan KPK Pakistan
RSC Adv. 2025 Jan 13;15(2):948-965. doi: 10.1039/d4ra07650h. eCollection 2025 Jan 9.
Recent advances in cancer therapy have been made possible by monoclonal antibodies, domain antibodies, antibody drug conjugates, The most impact has come from controlling cell cycle checkpoints through checkpoint inhibitors. This manuscript explores the potential of a series of novel -benzyl isatin based hydrazones (5-25), which were synthesized and evaluated as anti-breast cancer agents. The synthesized hydrazones of -benzyl isatin were screened against two cell lines, the MDA-MB-231 breast cancer cell line and the MCF-10A breast epithelial cell line. The results indicated that all compounds showed great potential against the triple-negative MDA-MB-231 breast cancer cell line. Compound 23 with nitro substitution at the 4th position of the phenyl ring exhibited significant antiproliferative potential for the MDA-MB-231 with an IC value of 15.8 ± 0.6 μM. Molecular dynamics and molecular docking simulations were performed to get a deeper understanding of the interactions between the synthesized compounds and cancer cells.
单克隆抗体、结构域抗体、抗体药物偶联物使癌症治疗取得了最新进展。最大的影响来自通过检查点抑制剂控制细胞周期检查点。本手稿探讨了一系列新型的基于苄基异吲哚酮的腙（5 - 25）的潜力，这些腙已被合成并作为抗乳腺癌药物进行评估。所合成的苄基异吲哚酮腙针对两种细胞系进行了筛选，即MDA - MB - 231乳腺癌细胞系和MCF - 10A乳腺上皮细胞系。结果表明，所有化合物对三阴性MDA - MB - 231乳腺癌细胞系均显示出巨大潜力。在苯环第4位具有硝基取代的化合物23对MDA - MB - 231表现出显著的抗增殖潜力，IC值为15.8±0.6μM。进行了分子动力学和分子对接模拟，以更深入地了解合成化合物与癌细胞之间的相互作用。
