Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, City Bahawalpur Punjab, 63100, Pakistan.
Institute of Pharmaceutical Science, Faculty of Life Science & Medicine, King's College, London, SE1 9NH, UK.
Future Med Chem. 2024;16(17):1749-1759. doi: 10.1080/17568919.2024.2379241. Epub 2024 Aug 5.
Quercetin being antioxidant and antiproliferative agent acts by inhibiting CDK2, with an increase in cancer prevalence there is a need to profile quercetin derivatives as CDK2 inhibitors. Schiff bases of quercetin were synthesized as cytotoxic agents against the MCF7 cell line. FTIR, H-NMR and C-NMR, CHNS/O analysis were employed along with and activities. 2q, 4q, 8q and 9q derivatives have maximum cytotoxic effect with IC values 39.7 ± 0.7, 36.65 ± 0.25, 35.49 ± 0.21 and 36.99 ± 0.45, respectively. Molecular docking also confirmed these results 8q has the highest binding potential of -9.165 KJ/mole making it a potent inhibitor of CDK2. These derivatives can be used as lead compounds as potent CDK2 inhibitors.
槲皮素作为一种抗氧化和抗增殖剂，通过抑制 CDK2 发挥作用，随着癌症发病率的增加，需要将槲皮素衍生物作为 CDK2 抑制剂进行研究。本研究以槲皮素为原料合成了席夫碱类化合物，作为 MCF7 细胞系的细胞毒性剂。采用 FTIR、H-NMR 和 C-NMR、CHNS/O 分析以及 和 活性进行了表征。2q、4q、8q 和 9q 衍生物具有最大的细胞毒性作用，IC 值分别为 39.7±0.7、36.65±0.25、35.49±0.21 和 36.99±0.45。分子对接也证实了这一结果，8q 具有最高的结合潜力-9.165KJ/mol，使其成为 CDK2 的有效抑制剂。这些衍生物可用作潜在的 CDK2 抑制剂的先导化合物。
