In this study, 7 new bis 4-bromobenzenesulfonate (2a-g) derivatives were synthesized. 4-formylphenyl-4-bromobenzenesulfonate (1) was reacted with 1,4-diamino butane, 1,5-diamino pentane, 1,6-diamino hexane, 1,7-diamino heptane, 1,8-diamino octane, 1,9-diamino nonane, 1,10-diamino decane respectively. As a result of the reaction carried out by dry heating, Schiff base-containing alkyl bis 4-bromobenzenesulfonate compounds (2a-g) were obtained. Structure elucidation of the compounds (2a-g) was carried out by FTIR, 1H- and 13C- NMR and mass spectrometric methods. The theoretical studies of compounds 2a and 2b were carried out at DFT/B3LYP/6–311G(d,p) level. Theoretical spectral data were compared with experimental data. The compounds 2a-g were tested against 9 bacterial isolates. . In addition, a total of 3 lung (A549, Calu1 and H1650) and 3 bone (MG63, Saos2 and SW1353) cancer cell lines, and the human lung (Beas2B) and human chondrocyte normal cell line were used to determine the anticancer activities of the synthesized compounds. Their activities against normal cells were examined. Finally, it was utilized molecular docking computations to explore interactions between compounds 2c, 2d, 2f and the Epidermal Growth Factor Receptor (EGFR) and the Vascular Endothelial Growth Factor Receptor (VEGFR1).

中文翻译：

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生物活性的合成、表征、生物活性研究和 Bis 4-溴苯磺酸盐化合物的计算机研究


在本研究中，合成了 7 种新的双 4-溴苯磺酸盐 （2a-g） 衍生物。4-甲酰基苯基-4-溴苯磺酸盐 （1） 分别与 1,4-二氨基丁烷、1,5-二氨基戊烷、1,6-二氨基己烷、1,7-二氨基庚烷、1,8-二氨基辛烷、1,9-二氨基壬烷、1,10-二氨基癸烷反应。通过干热进行反应，得到含席夫碱的烷基双 4-溴苯磺酸盐化合物 （2a-g）。通过 FTIR、1H- 和 13C- NMR 和质谱方法对化合物 （2a-g） 进行结构解析。化合物 2a 和 2b 的理论研究在 DFT/B3LYP/6–311G（d，p） 水平进行。将理论光谱数据与实验数据进行比较。对化合物 2a-g 进行了 9 种细菌分离物的测试。.此外，共 3 个肺癌细胞系 （A549、Calu1 和 H1650） 和 3 个骨癌细胞系 （MG63、Saos2 和 SW1353） 以及人肺癌细胞 （Beas2B） 和人软骨细胞正常细胞系用于测定合成化合物的抗癌活性。检查了它们对正常细胞的活性。最后，利用分子对接计算来探索化合物 2c 、 2d 、 2f 与表皮生长因子受体 （EGFR） 和血管内皮生长因子受体 （VEGFR1） 之间的相互作用。