Preparation, physicochemical characterization, molecular docking and biological activity of a novel schiff-base and organophosphorus schiff base with some transition metal(II) ions

IF 1.3 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Main Group Chemistry Pub Date : 2023-01-11 DOI:10.3233/mgc-220101

Y. Jamil, F. Al-Azab, N. Al-Selwi, Thamer Alorini, Ahmed N. Al-hakimi

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引用次数: 0

Abstract

The two synthesis of Schiff base SB (Indole-3-carboxalidene-1-phenylsemicarbazide) and organophosphorus Schiff base OPSB (Indole-3-carboxalidene diphenylphosphate-1-phenylsemicarbazide) have been prepared and characterized by elemental analyses, IR, 1H-NMR, 13C-NMR, UV–Vis and XRD. A series of complexes of the type [M(SB)2Cl2].2H2O and [M(OPSB)Cl.(H2O)2].Cl, where M = Cu(II), Ni(II) and Co(II) have been synthesized and the chemical structures of them were established by magnetic susceptibility, conductance measurements, elemental analyses, IR, UV–Vis. These results suggest that the metal complexes have octahedral geometry. X-ray powder diffraction analysis of ligands and SB complexes indicate that they are crystalline in nature and within nano range. The molecular docking of [Co(OPSB)Cl.(H2O)2].Cl is discussed using MOE software to understand the binding pattern of the investigated compound towards target proteins Bacillus subtilis (PDB ID: 2RHL), Staphylococcus aureus (PDB ID: 4URM), Escherichia coli (PDB ID: 4PRV), Pseudomonas aeruginosa (PDB ID: 4JVI). All compounds have been evaluated for their antimicrobial. The ligands and OPSB complexes showed high antioxidant activity.

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一种新型席夫碱及其与过渡金属(II)离子的有机磷席夫碱的制备、理化性质、分子对接及生物活性研究

采用元素分析、IR、1H-NMR、13C-NMR、UV-Vis和XRD等手段对希夫碱合成物SB(吲哚-3-羧基二苯基氨基脲)和有机磷希夫碱合成物OPSB(吲哚-3-羧基二苯基磷酸-1-苯基氨基脲)进行了表征。[M(SB)2Cl2]型的一系列配合物[M(OPSB)Cl.(H2O)2]。合成了Cl(其中M = Cu(II))、Ni(II)和Co(II)，并通过磁化率、电导、元素分析、IR、UV-Vis等方法确定了它们的化学结构。这些结果表明金属配合物具有八面体的几何结构。配体和SB配合物的x射线粉末衍射分析表明，它们是晶体性质的，在纳米范围内。[Co(OPSB)Cl.(H2O)2]的分子对接。利用MOE软件对所研究化合物与目标蛋白枯草芽孢杆菌(Bacillus subtilis, PDB ID: 2RHL)、金黄色葡萄球菌(Staphylococcus aureus, PDB ID: 4URM)、大肠杆菌(Escherichia, PDB ID: 4PRV)、铜绿假单胞菌(Pseudomonas aeruginosa, PDB ID: 4JVI)的结合模式进行了讨论。所有化合物都被评价为抗菌。该配体和OPSB配合物具有较高的抗氧化活性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Main Group Chemistry 化学-化学综合

CiteScore

2.00

自引率

26.70%

发文量

审稿时长

>12 weeks

期刊介绍： Main Group Chemistry is intended to be a primary resource for all chemistry, engineering, biological, and materials researchers in both academia and in industry with an interest in the elements from the groups 1, 2, 12–18, lanthanides and actinides. The journal is committed to maintaining a high standard for its publications. This will be ensured by a rigorous peer-review process with most articles being reviewed by at least one editorial board member. Additionally, all manuscripts will be proofread and corrected by a dedicated copy editor located at the University of Kentucky.