Synthesis, Spectroscopic Characterization, Antimicrobial Investigation, Docking and Computational Studies of New Tin (IV) Schiff Base Complexes

IF 3.7 2区化学 Q2 CHEMISTRY, APPLIED Applied Organometallic Chemistry Pub Date : 2025-01-23 DOI:10.1002/aoc.7999

Yasmin M. Ahmed, Sami A. Al-Hussain, Magdi E. A. Zaki, Gehad G. Mohamed

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Abstract

Reaction of Organotin (IV) salts with tridentate Schiff bases (SBI and SBII) reacted in 1:1 M ratios where complexes (1–6) were afforded. Organotin (IV) complexes with the formula [Sn (CH₃)₂(SBI)ClH₂O]Cl (1), [Sn(C₄H₉)₂(SBI)Cl₂]H₂O (2), [Sn(C₆H₅)₄(SBI)] (3), [Sn (CH₃)₂(SBII)Cl₂]3H₂O (4), [Sn(C₄H₉)₂(SBII)Cl₂]2H₂O (5) and [Sn(C₆H₅)₄(SBII)]H₂O (6) (SBI = 2(E)-2-(((3-hydroxyphenyl)imino)methyl)phenol and SBII = (E)-2-(((3-aminophenyl)imino)-methyl)phenol were described. Every Tin (IV) complex (1–6) had a distinct color and was soluble in DMF and DMSO organic solvents. The complexes have all been thoroughly examined using mass spectrum analysis, FT-IR, UV–vis, ¹H-NMR, and CHN investigations. For both SBI and SBII, the Schiff bases chelated to the tin metal ion in a tridentate fashion through NOO and NNO atoms, including nitrogen atoms of the azomethine group. This was demonstrated by the spectroscopic data of the ligand and its related complexes (1–6). The tin atom was found to have pentagonal-bipyramidal geometry according to elemental analyses data coupled with electronic spectral data. The complexes were nonelectrolytes except Complex 1 is electrolyte. The complexes (1–6) thermal deterioration occurred between 200°C and 800°C, according to thermogravimetric analysis performed during thermal decomposition under nitrogen. The in vitro tests measured the efficacy of the Schiff base Tin (IV) complexes (1–6) to inhibit the growth of several types of bacteria and fungi. When compared to the Schiff bases ligand, it was shown that the complexes were more successful in killing bacteria and fungi organisms. In order to interpret the compounds' structure and reactivity, density functional calculations were done. Molecular docking by the protein locations of 2V5Z and 7KGW was utilized to evaluate possible medicines using MOE 2008. Without verifying results with MD simulations, the work was designed to explore molecular docking.

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新型锡（IV）席夫碱配合物的合成、光谱表征、抗菌研究、对接及计算研究

有机锡（IV）盐与三齿希夫碱（SBI和SBII）以1:1的M比反应，提供配合物（1-6）。描述了分子式为[Sn(CH3)2(SBI)ClH2O]Cl(1)、[Sn(C4H9)2(SBI)Cl2]H2O(2)、[Sn(C6H5)4(SBI)](3)、[Sn(C4H9)2(SBII)Cl2] 3H2O(4)、[Sn(C4H9)2(SBII)Cl2]2H2O(5)和[Sn(C6H5)4(SBII)]H2O (6) (SBI = 2（E)-2-（（3-氨基苯基）亚氨基）-甲基）苯酚和SBII = （E)-2-（（3-氨基苯基）亚氨基）-甲基）苯酚的有机锡（IV）配合物。每个锡（IV）配合物（1-6）都有明显的颜色，可溶于DMF和DMSO有机溶剂。这些配合物都通过质谱分析、FT-IR、UV-vis、1H-NMR和CHN研究进行了彻底的研究。对于SBI和SBII，希夫碱通过NOO和NNO原子（包括亚甲基的氮原子）以三叉键方式与锡金属离子螯合。配体及其相关配合物的光谱数据证明了这一点（1-6）。根据元素分析数据和电子光谱数据，发现锡原子具有五角形-双锥体的几何形状。除配合物1为电解质外，其余配合物均为非电解质。根据热重分析，在氮气热分解过程中，配合物（1-6）在200°C至800°C之间发生热降解。体外试验测量了希夫碱锡（IV）配合物（1-6）抑制几种细菌和真菌生长的功效。与希夫碱配体相比，该配合物对细菌和真菌的杀伤效果更好。为了解释化合物的结构和反应性，进行了密度泛函计算。利用MOE 2008对2V5Z和7KGW蛋白位置进行分子对接，评价可能的药物。在没有MD模拟验证结果的情况下，这项工作旨在探索分子对接。

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来源期刊

Applied Organometallic Chemistry 化学-无机化学与核化学

CiteScore

7.80

自引率

10.30%

发文量

408

审稿时长

2.2 months

期刊介绍： All new compounds should be satisfactorily identified and proof of their structure given according to generally accepted standards. Structural reports, such as papers exclusively dealing with synthesis and characterization, analytical techniques, or X-ray diffraction studies of metal-organic or organometallic compounds will not be considered. The editors reserve the right to refuse without peer review any manuscript that does not comply with the aims and scope of the journal. Applied Organometallic Chemistry publishes Full Papers, Reviews, Mini Reviews and Communications of scientific research in all areas of organometallic and metal-organic chemistry involving main group metals, transition metals, lanthanides and actinides. All contributions should contain an explicit application of novel compounds, for instance in materials science, nano science, catalysis, chemical vapour deposition, metal-mediated organic synthesis, polymers, bio-organometallics, metallo-therapy, metallo-diagnostics and medicine. Reviews of books covering aspects of the fields of focus are also published.