Treatment of cis/trans-[PtCl₂(N≡CR)₂] 1 (R = CH₃ (1a), C₂H₅ (1b), C₆H₅ (1c), CH₂C₆H₄(p-CH₃) (1d)) with 1,3-diiminoisoindoline 2 gives access to the corresponding symmetrical (1,3,5,7,9-pentaazanona-1,3,6,8-tetraenato) platinum(II) complexes [PtCl{NH=C(R)N=C(C₆H₄)NC=NC(R)=NH}] 3a-d, in good yields (65–77%). The compounds 3a-d have been characterized by IR, ¹H, ¹³C and DEPT-135 NMR spectroscopies, ESI-MS and elemental analyses. GIAO/DFT studies have been performed to confirm the molecular structure of the platinum(II)-pincer 3d by comparing the experimental and theoretical ¹H and ¹³C NMR chemical shifts, and it has shown good correlations between experimental and calculated chemical shifts for proton and carbon with correlation coefficients of 0.9947 and 0.9968, respectively. Molecular electrostatic potential is used to investigate the nucleophilic or electrophilic regions in the molecule 3d. The antimicrobial activities of compounds 3a-d are determined against different bacterial pathogens and yeasts. No toxicity is recorded against Artemia saline as a test organism for 3a-c, while moderate toxicity is found for 3d at 0.62 µM. Comparable antitumor activities are found for 3a-d against human colon HCT116 and human breast (MCF-7) cancer cell lines. The complexes 3a-d have shown good binding affinities to ct-DNA in the range of 6.00´10⁵ to 8.33´10⁵ and the conducted molecular docking studies suggest an intercalation mode of binding with DNA by the isoindole fragment of the ligands. Overall, this class of tridentate ligands have shown good potential in designing platinum(II) complexes with promising biological and anticancer activities. Moreover, the presence of the side chains on the ligands provides great design flexibility by introducing some chemical and/or physical characteristics.

中文翻译：

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具有三齿N'N'N'钳位配体的铂（II）配合物的潜在抗癌活性

的治疗顺/反- [氯铂酸₂（N≡CR）₂ ] 1（R = CH ₃（1A），C ₂ H ^ ₅（图1b），C ₆ H ^ ₅（1C），CH ₂ C ^ ₆ ħ ₄（p -CH ₃）（1d））与1,3-二亚氨基异吲哚啉2可以进入相应的对称（1,3,5,7,9-pentaazanona-1,3,6,8-丁enato）铂（II）配合物[ PtCl { N H = C（R）N = C（C ₆ H ₄）N C = NC（R）= N H}] 3a-d，收率良好（65-77％）。化合物3a-d已经通过IR，¹ H，¹³ C和DEPT-135 NMR光谱，ESI-MS和元素分析进行了表征。GIAO / DFT研究已经通过比较实验和理论上的¹ H和¹³ H来确定铂（II）钳3d的分子结构C NMR化学位移，并且已显示出质子和碳的实验和计算的化学位移之间的良好相关性，相关系数分别为0.9947和0.9968。分子静电势用于研究分子3d中的亲核或亲电子区域。确定化合物3a-d对不同细菌病原体和酵母菌的抗微生物活性。对于3a-c的测试生物，没有记录到针对卤虫盐水的毒性，而在0.62 µM的3d中未发现中度毒性。发现3a-d具有可比的抗肿瘤活性抵抗人类结肠HCT116和人类乳腺癌（MCF-7）癌细胞系。配合物3a-d在6.00´10 ⁵至8.33´10 ⁵范围内显示出对ct-DNA的良好结合亲和力，进行的分子对接研究表明，配体的异吲哚片段与DNA的结合方式为插入。总体而言，这类三齿配体在设计具有有前途的生物和抗癌活性的铂（II）配合物方面显示出良好的潜力。此外，通过引入一些化学和/或物理特性，配体上侧链的存在提供了很大的设计灵活性。