A novel series of Bis-Schiff bases of pyrazoles 9–24 were synthesized by the direct condensation of 5-aminopyrazoles 4a–d with dialdehydes 8a–d in ethanol. The newly synthesized Bis-Schiff bases of pyrazoles 9–24 were characterized and confirmed by analytical and spectroscopic data. Some selected Bis-Schiff bases were investigated for their in vitro anti-proliferation activity toward three human carcinoma cell lines {HepG2 (liver), MCF-7 (breast) and RPE-1 (normal retina pigmented epithelium)} using MTT assay. The result in vitro showed that the compound 23 was found to be the active candidate against HepG2 and MCF-7 cells, while compound 16 was found to be the most potent derivative against RPE-1 cells. All the Bis-Schiff bases of pyrazoles 9–24 were evaluated for their screening on thymidine phosphorylase and DNA binding energy. The DNA binding energy showed that the compound 12 shows the lowest IC₅₀ compared to other series of compounds and is the nearest one to the IC₅₀ of the standard taxol. The molecular docking of the new Bis-Schiff base 9 was carried out and showed good binding energies (− 4.45, − 4.95, − 2.62, − 3.83 and − 5.03 kcal/mol with 1bna, 102d, 1k2j, 2gvr and 2des double-strand DNA targets, respectively) when compared to standard doxorubicin. This study is an introduction to promising compounds.

一种新颖的一系列二吡唑的-Schiff碱9 - 24由5-氨基吡唑的直接缩合合成4A - d与二醛图8a - d乙醇。新合成的二吡唑类的-Schiff碱9 - 24进行了表征，并通过分析和光谱数据确认。使用MTT测定法研究了一些选定的Bis- Schiff碱基对三种人类癌细胞系（HepG2（肝），MCF-7（乳腺癌）和RPE-1（正常视网膜色素上皮））的体外抗增殖活性。体外结果表明该化合物发现23是对抗HepG2和MCF-7细胞的活性候选物，而发现化合物16是对抗RPE-1细胞的最有效衍生物。所有二吡唑-Schiff基地9 - 24它们对胸苷磷酸化酶和DNA结合能筛选评估。DNA结合能表明，与其他系列化合物相比，化合物12的最低IC _50值与标准紫杉醇的IC ₅₀值最接近。新的Bis -Schiff base 9的分子对接与标准的阿霉素相比，具有1bna，102d，1k2j，2gvr和2des双链DNA靶标的结合能（分别为-4.45，-4.95，-2.62，-3.83和-5.03 kcal / mol）分别显示。这项研究是对有前途的化合物的介绍。