合成,结构特征,热分析,DFT,生物制剂评估和分子对接研究的胺基Co (II) 复合物
Subhash1, Ashu Chaudhary1, Mamta1
1Department of Chemistry, Kurukshetra University, Kurukshetra, Haryana 136119 India.
Chemicke zvesti
|June 26, 2023
概括
来自四胺胺宏环联体的新 (II) 复合物表现出显著的抗微生物和抗氧化活性. 连接物TAML1及其复合物显示出对黄金葡萄球菌的优良抗菌特性.
科学领域:
- 协调化学 协调化学
- 药用化学 医学化学
- 材料科学 材料科学 材料科学
背景情况:
- 过渡金属复合物,特别是那些来自氨基酸和芳香胺的复合物,因其生理活性而得到认可.
- 由于其多样化的应用, (II) 复合物引起了人们的兴趣.
研究的目的:
- 为了合成和描述新的 (II) 复合物,使用基于1,8-diaminonaphthalene的四胺宏环联体.
- 评估这些合成的配体及其Co (II) 复合物的抗微生物,抗氧化剂和生物学意义.
主要方法:
- 在乙醇介质中合成 (II) 复合物与四胺宏环联体 (TAML1-3).
- 使用光谱技术 (IR,NMR,EPR,UV-Vis),CHN分析,TGA,X射线衍射和DFT分析进行表征.
- 对各种细菌和真菌进行抗菌活性测试,抗氧化剂测试和分子对接研究.
主要成果:
- 成功合成并对TAML1-3连接体及其Co(II) 复合体进行了完整的表征,证实了扭曲的八面体几何.
- 连接物TAML1及其复合物[Co(TAML1)Cl2]显示出强大的抗菌活性对抗金黄色葡萄球菌,超过了安培.
- 所有合成的化合物都表现出显著的抗氧化活性,分子对接结果与实验性抗微生物数据有很好的相关性.
结论:
- 合成的 (II) 宏环复合物具有显著的抗微生物和抗氧化特性.
- 该研究强调了这些新型复合物的潜力作为治疗剂,特别是在细菌感染中.
- 分子对接为作用机制和潜在药物点提供了宝贵的见解.
相关概念视频
01:29Preparation of Amides
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Amides are synthesized by treating carboxylic acids with amines in the presence of dehydrating agents like dicyclohexylcarbodiimide (DCC).
The DCC-promoted synthesis of amides begins with the protonation of DCC by carboxylic acid. The protonation makes it a better acceptor. Next, the addition of carboxylate to the protonated carbodiimide gives a reactive acylating agent.
Subsequently, the amine acts as a nucleophile that attacks the acylating agent to form a tetrahedral intermediate. In the...
The DCC-promoted synthesis of amides begins with the protonation of DCC by carboxylic acid. The protonation makes it a better acceptor. Next, the addition of carboxylate to the protonated carbodiimide gives a reactive acylating agent.
Subsequently, the amine acts as a nucleophile that attacks the acylating agent to form a tetrahedral intermediate. In the...
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02:34Structural Isomerism
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Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
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02:54Coordination Compounds and Nomenclature
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In most main group element compounds, the valence electrons of the isolated atoms combine to form chemical bonds that satisfy the octet rule. For instance, the four valence electrons of carbon overlap with electrons from four hydrogen atoms to form CH4. The one valence electron leaves sodium and adds to the seven valence electrons of chlorine to form the ionic formula unit NaCl (Figure 1a). Transition metals do not normally bond in this fashion. They primarily form coordinate covalent bonds, a...
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02:52Stereoisomerism
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Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula.
Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...
Isomers are different chemical species that have the same chemical formula.
Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...
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01:28Structures of Carboxylic Acid Derivatives
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Structure of Carboxylic Acid Derivatives
Carboxylic acid derivatives contain an acyl group attached to a heteroatom such as chlorine, oxygen, or nitrogen. The carbonyl carbon and oxygen are both sp2-hybridized with an unhybridized p orbital.
The three sp2 orbitals of the carbonyl carbon form three σ bonds, one each with the carbonyl oxygen, the α carbon, and the heteroatom, whereas the other two sp2 orbitals of the carbonyl oxygen are occupied by the lone pairs. Further, the...
Carboxylic acid derivatives contain an acyl group attached to a heteroatom such as chlorine, oxygen, or nitrogen. The carbonyl carbon and oxygen are both sp2-hybridized with an unhybridized p orbital.
The three sp2 orbitals of the carbonyl carbon form three σ bonds, one each with the carbonyl oxygen, the α carbon, and the heteroatom, whereas the other two sp2 orbitals of the carbonyl oxygen are occupied by the lone pairs. Further, the...
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02:58Crystal Field Theory - Octahedral Complexes
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Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
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