2-Aminopyridine Cadmium (II) meso-chlorophenylporphyrin coordination compound. Photophysical properties, X-ray molecular structure, antimicrobial activity, and molecular docking analysis,Journal of Chemical Sciences

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2-Aminopyridine Cadmium (II) meso-chlorophenylporphyrin coordination compound. Photophysical properties, X-ray molecular structure, antimicrobial activity, and molecular docking analysis
Journal of Chemical Sciences ( IF 1.7 ) Pub Date : 2022-02-04 , DOI: 10.1007/s12039-021-02022-0
Chadlia Mchiri ₁ , Habib Nasri ₁ , Hayet Edziri ₂ , Halima Hajji ₃ , Mohammed Bouachrine _{3,

4,

5} , Samir Acherar _{3,

4,

5} , Céline Frochot ₆ , Hanan O Badr Eldine ₇ , Sana Ben Moussa ₇

Affiliation

The reaction of the [meso-tetra(p-chlorophenyl)porphyrinato]cadmium(II) complex ([Cd(TClPP)]) with an excess of 2-aminopyridine results in the formation of the corresponding axially ligated (2- aminopyridine)[meso-tetra(p-chlorophenyl)porphyrinato]cadmium(II)with the formula [Cd(TClPP)(2-NH₂Py)] (I). This five-coordinated metalloporphyrin was characterized by infrared, UV-visible, fluorescence, singlet oxygen, ¹H nuclear magnetic resonance and single crystal X-ray diffraction techniques. The in vitro antimicrobial activity of the freebase porphyrin H₂TClPP porphyrin, the [Cd(TClPP)] starting material and complex (I) were screened against different species of bacteria. The assays showed an increase of antimicrobial potential due to the insertion of the cadmium metal into the H₂TClPP porphyrin and the axial coordination of 2-aminopyridine. Molecular docking approach indicated that [Cd(TClPP)(2-NH₂Py)] has higher binding affinity with hydrogen-bonding interactions.

Graphical abstract

2-aminopyridine Cadmium(II) meso-chlorophenylporphyrin coordination compound abbreviated as [Cd(TClPP)(2-NH₂Py)] was synthesized and characterized. This compound shows interesting antibacterial properties. The molecular docking approach suggests that [Cd(TClPP)(2-NH2Py)] has higher binding affinity with hydrogen bonding interactions.

中文翻译：

2-氨基吡啶镉 (II) 内消旋氯苯基卟啉配位化合物。光物理性质、X 射线分子结构、抗菌活性和分子对接分析

[内消旋-四（对-氯苯基）卟啉]镉（II）络合物（[Cd（TClPP）]）与过量的2-氨基吡啶反应导致形成相应的轴向连接（2-氨基吡啶）[具有分子式[Cd(TClPP)(2-NH ₂ Py)] ( I )的内消旋-四(对-氯苯基)卟啉]镉(II )。这种五配位金属卟啉通过红外、紫外可见、荧光、单线态氧、¹ H 核磁共振和单晶 X 射线衍射技术进行了表征。游离碱卟啉 H ₂的体外抗菌活性TClPP 卟啉、[Cd(TClPP)] 起始材料和复合物 ( I ) 针对不同种类的细菌进行了筛选。由于镉金属插入 H ₂ TClPP 卟啉和 2-氨基吡啶的轴向配位，测定显示抗菌潜力增加。分子对接方法表明[Cd(TClPP)(2-NH ₂ Py)]与氢键相互作用具有更高的结合亲和力。