Abstract Herein we present the synthesis, and biological evaluation of new Schiff bases incorporating (2‑hydroxy-5-methylbenzaldehyde sulfisoxazole (S2M-S1) and 2‑hydroxy-5-methylbenzaldehyde sulfamethoxazole (S1M-S1) derived from sulfisoxazole (S2)/sulfamethoxazole (S1) and substituted salicylaldehyde and their Pd (II), Cu(II) complexes. The synthesized compounds were characterized by FT-IR, 1H–13C NMR, LC-MS, magnetic susceptibility and conductivity measurements. The molecular structure of S2M-S1 was also determined by the single crystal X-ray diffraction technique and was found to crystallize in the monoclinic, space group P1 21/n 1. We investigated the effects of molecules on human carbonic anhydrase isoenzyme II (hCAII). Cu(S2M-S1)2, Pb(S2M-S1)2, Pb(S1M-S1)2, and Cu(S1M-S1)2, exhibited inhibitory effects with 10, 20, 42 and 67 µM IC50 value, respectively. Also, molecular Docking studies performed and anticancer activities of newly synthesized compounds were evaluated against three human cancer cell lines with the sulfonamide B test. S2M-S1, S1M-S1 compounds and their Cu (II) complexes exhibited promising cytotoxic activity against all cell lines. IC50 values for breast (MCF7) cells are 40 µM for S2M-S1, S1M-S1 compounds and their Cu (II) complexes.

中文翻译：

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磺胺类药物新席夫碱的合成、光谱表征、碳酸酐酶II抑制活性、抗癌活性和对接研究

分别。此外，还进行了分子对接研究，并使用磺胺 B 试验评估了新合成化合物对三种人类癌细胞系的抗癌活性。S2M-S1、S1M-S1 化合物及其 Cu (II) 复合物对所有细胞系均表现出良好的细胞毒活性。对于 S2M-S1、S1M-S1 化合物及其 Cu (II) 复合物，乳腺 (MCF7) 细胞的 IC50 值为 40 µM。