Synthesis, spectroscopic characterization, quantum chemical calculations, evaluation of biological and cytotoxic activities, and molecular docking studies of 2‐hydroxy‐N′‐(4,5,6‐trimethoxy‐2,3‐dihydro‐1H‐inden‐1‐ylidene) benzohydrazide and its Cu(II), Co(II), Ni(II), and Zn(II) complexes,Journal of the Chinese Chemical Society

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Synthesis, spectroscopic characterization, quantum chemical calculations, evaluation of biological and cytotoxic activities, and molecular docking studies of 2‐hydroxy‐N′‐(4,5,6‐trimethoxy‐2,3‐dihydro‐1H‐inden‐1‐ylidene) benzohydrazide and its Cu(II), Co(II), Ni(II), and Zn(II) complexes
Journal of the Chinese Chemical Society ( IF 1.6 ) Pub Date : 2019-07-15 , DOI: 10.1002/jccs.201800465
Sharah A. A. Aldulmani ₁ , Abdel‐Nasser M. A. Alaghaz _{2,

3}

Affiliation

In the present study, the title compound 2‐hydroxy‐N′‐(4,5,6‐trimethoxy‐2,3‐dihydro‐1H‐inden‐1‐ylidene) benzohydrazide (L) was synthesized and its Cu(II), Co(II), Ni(II) and Zn(II) complexes (1–4) were characterized using ultraviolet–Vis, FT‐IR, nuclear magnetic resonance (¹H and ¹³C), electron spin resonance, powder‐X‐ray diffraction, and mass spectral techniques. The investigation on antioxidant activity indicate that the complex 1 and complex 3 have good scavenging activity against various free radicals (2‐diphenyl‐1‐picrylhydrazyl) with IC₅₀ values ranging from 10.14 to 12.16 μg/mL. The in vitro cytotoxicity of these complexes was evaluated using the 3‐4,5‐dimethylthiazole‐2,5‐diphenyltetraazolium bromide assay. The results demonstrate that complexes 1 and 2 show good anticancer activities against human tumor cell line‐7 (breast cancer cell line) and Hep‐G2 (human liver cancer cell line) cell lines with IC₅₀ values of 6.38 and 6.20 μg/mL and that complex 1 is next to complex 2 with IC₅₀ values of 7.26 and 8.15 μg/mL, respectively. The results of antimicrobial activity also suggest that the complex 1 and complex 2 exhibited greater cell death counts for gram positive and gram negative bacterial and antifungal strains with good inhibition values.

中文翻译：

2-羟基-N′-（4,5,6-三甲氧基-2,3-二氢-1H-茚满-1-亚基的合成，光谱表征，量子化学计算，生物学和细胞毒性活性评估以及分子对接研究苯甲酰肼及其Cu（II），Co（II），Ni（II）和Zn（II）配合物

在本研究中，合成了标题化合物2-羟基-N'-（4,5,6-三甲氧基-2,3-二氢-1H-茚满-1-亚烷基）苯并肼（L）及其Cu（II），钴（II），镍（II）和Zn（II）配合物（1 - 4），使用紫外-可见光，FT-IR，核磁共振（进行了表征¹ H和¹³ C），电子自旋共振，粉末-X射线衍射和质谱技术。对抗氧化剂活性的研究表明，配合物1和配合物3对IC _50为50的各种自由基（2-二苯基-1-picylhydrazyl）具有良好的清除活性。值范围从10.14至12.16μg/ mL。使用3‐4,5‐二甲基噻唑‐2,5‐二苯基四唑鎓溴化物测定法评估了这些复合物的体外细胞毒性。结果表明复合物1和2对人肿瘤细胞系-7（乳腺癌细胞系）和Hep-G2（人肝癌细胞系）细胞系具有良好的抗癌活性，IC ₅₀值分别为6.38和6.20μg/ mL。该复合物1与复合物2相邻，其IC ₅₀值分别为7.26和8.15μg/ mL。抗菌活性的结果还表明，复合物1和复合物2 革兰氏阳性和革兰氏阴性细菌和抗真菌菌株显示出更高的细胞死亡计数，并具有良好的抑制值。

更新日期：2019-12-11

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