研究动态
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新的含5-硝基吲哚并螺环四元衍生物的分子对接、实验性抗癌和抗氧化活性的合成、鉴定和评价。

Synthesis, identification and evaluation of molecular docking and experimental anti-cancer and antioxidant activity of new spiro four membered ring derivatives bearing 5-nitro isatin.

发表日期:2023 Mar 30
作者: Hala Ayad Mohamed Rasheed, Suaad M H Al-Majidi
来源: ANTIOXIDANTS & REDOX SIGNALING

摘要:

用不同的芳香基异氰酸酯和硫代异氰酸酯,通过5-硝基异恶唑Schiff碱[1-5]的[2+2]环加成制备了螺环5-硝基异恶唑氮杂-β-内酰胺。采用1H核磁共振、13C核磁共振和红外光谱等技术鉴定了所得化合物的结构。这些螺环5-硝基异恶唑氮杂-β-内酰胺引起了我们的兴趣,是因为它们具有潜在的抗氧化和抗癌特性。采用MTT实验检测了对乳腺癌(MCF-7)细胞系的体外生物活性测试。从实验结果数据中得知,化合物14在24小时内对MCF-7细胞的IC50值低于临床使用的抗癌药物他莫昔芬,化合物9在48小时后低于合成化合物[6-20]的DPPH抗氧化活性进行了评估。通过分子对接,确定了一些有潜在细胞毒性活性机制的有希望的化合物。
Spiro-5-nitro isatino aza-β-lactams were produced by a [2 + 2] cycloaddition of 5-nitro isatin Schiff bases [1-5] with different aromatic isocyanate and thioisocyanate. 1HNMR and 13CNMR as well as FTIR spectroscopies, were used to identify the structures of the obtained compounds. These spiro-5-nitro isatin aza- β-lactams interest to us due to their potential antioxidant and anticancer properties. The MTT assay was used to examine in vitro bioactivity testing against breast cancer (MCF-7) cell lines. From result data, compound 14 displayed IC50 values that were lower than those of the clinically used anticancer drug tamoxifen toward MCF-7 cells after 24 h while compound 9 after 48 h synthesized compounds [6-20] were evaluated for against antioxidant activity by using DPPH assay. In molecular docking, Promising compounds were used to reveal potential cytotoxic activity mechanisms.