New bioactive Co (II) coordination polymers with morphline and carboxylate ligands; Synthesis, structures, spectroscopic and thermal properties

Mukred, Rasel A.; Yehya, Fahem. B.; Al-Gabr, Hamid Mohammad; Fakih, Mohammed. A. Al

doi:10.1007/s10965-022-03193-1

Cited by 7 publications

(1 citation statement)

References 41 publications

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“…To investigate the coordination mode of PCA-CS with Ag + , molecular mechanics (MM2) calculations were used to optimize the molecular conformations and calculate the molecular energy and surface charge density, which will help to speculate on the formation process of polymer-metal complexes [39]. To simplify the calculations, the PCA-CS monomer was used as the research object, and its geometric structure was drawn using Chem3D software 2020 v20.0.0.41 (Figure 8a).…”

Section: Molecular Computation Studymentioning

confidence: 99%

2-Pyridinecarboxaldehyde-Modified Chitosan–Silver Complexes: Optimized Preparation, Characterization, and Antibacterial Activity

Zhang,

Zhao,

et al. 2023

Molecules

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The widespread prevalence of infectious bacteria is one of the greatest threats to public health, and consequently, there is an urgent need for efficient and broad-spectrum antibacterial materials that are antibiotic-free. In this study, 2-pyridinecarboxaldehyde (PCA) was grafted onto chitosan (CS) and the modified CS coordinated with silver ions to prepare PCA-CS-Ag complexes with antibacterial activity. To obtain complexes with a high silver content, the preparation process was optimized using single-factor experiments and response surface methodology. Under the optimal preparation conditions (an additional amount of silver nitrate (58 mg), a solution pH of 3.9, and a reaction temperature of 69 °C), the silver content of the PCA-CS-Ag complex reached 13.27 mg/g. The structure of the PCA-CS-Ag complex was subsequently verified using ultraviolet–visible spectroscopy, Fourier-transform infrared spectroscopy, proton nuclear magnetic resonance spectroscopy, and thermogravimetric analysis. Furthermore, three possible complexation modes of the PCA-CS-Ag complex were proposed using molecular mechanics calculations. The results of the antibacterial assay in vitro showed that the PCA-CS-Ag complex exhibited strong antibacterial activity against both Gram-positive and Gram-negative bacteria, exerting the synergistic antibacterial effect of modified chitosan and silver ions. Therefore, the PCA-CS-Ag complex is expected to be developed as an effective antibacterial material with promising applications in food films, packaging, medical dressings, and other fields.

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Section: Molecular Computation Studymentioning

confidence: 99%

2-Pyridinecarboxaldehyde-Modified Chitosan–Silver Complexes: Optimized Preparation, Characterization, and Antibacterial Activity

Zhang,

Zhao,

et al. 2023

Molecules

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A Robust In Vitro Anti‐tuberculosis, Antimicrobial, and Anti‐inflammatory Activities Based on Azomethine Chelates Incorporating Co(II), Ni (II), Cu(II), and Zn(II) Ions: Synthesis, Characterization, and Investigation of the Aspects of Docking Interaction

Rani,

Devi,

Kumar

et al. 2024

Applied Organom Chemis

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In recent times, there has been a growing exploration of transition metal complexes as potential solutions for significant health challenges, including tuberculosis, microbes infection, and inflammation. Therefore, in our ongoing effort to identify biologically effective agents, Co(II), Ni(II), Cu(II), and Zn(II) metal complexes of H2L1–H2L2 hydrazone ligands were synthesized. The structural features of synthesized compounds were recognized by employing several techniques such as FT‐IR, 1H NMR, 13C NMR, powder x‐ray diffraction (XRD), UV‐Vis, ESR, TG‐DTA, mass spectrometry, and molar conductance measurements. The bonding of ligands via Ophenolic, Oenolic, and Nazomethine donor atoms and the attachment of the three water molecules with metal ion to form the octahedral structure of complexes were corroborated by different spectroscopic techniques. The anti‐tuberculosis, antimicrobial, and anti‐inflammatory activities of the synthesized compounds were assessed using the microplate alamar blue assay, serial dilution, and bovine serum albumin (BSA) methods, respectively, and highlighted the more potency of the complexes than ligands. The synthesized Cu(II) (9) and Zn(II) (10) metal complexes exhibited excellent ability to inhibit the growth of H37Rv strain of Mycobacterium tuberculosis in comparison to standard drug streptomycin. The Cu(II) (6 and 9) and Zn(II) (10) complexes showed superb ability as antimicrobial agents, whereas Cu(II) (5) and Zn(II) (6) complexes exhibited significant anti‐inflammatory ability. The in vitro findings on the antituberculosis activity were reinforced by a significant molecular docking study, which has become a crucial component of computational research utilizing the enzyme Mtb Pks13 thioesterase domain of M. tuberculosis. Additionally, in this research work, the absorption–distribution–metabolism–excretion–toxicity (ADMET) study sparked the compounds' drug‐like behavior.

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Unveiling Anti‐Malarial, Antimicrobial, Antioxidant Efficiency and Molecular Docking Study of Synthesized Transition Metal Complexes Derived From Heterocyclic Schiff Base Ligands

Rani,

Devi,

Kumar

et al. 2024

Chemistry An Asian Journal

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Malaria, a persistent and ancient adversary, continues to impact vast regions worldwide, afflicting millions and severely affecting human health and well‐being. Recently, despite significant progress in combating this parasitic disease, malaria remains a major global health concern, especially in areas with limited resources and vulnerable populations. Consequently, identifying and developing effective agents to combat malaria and its associated dysfunctions is essential therefore the two new Schiff base ligands incorporated Co(II), Ni(II), Cu(II) and Zn(II) ions were synthesized and thoroughly characterized. The synthesized compounds were assessed for in vitro anti‐malarial and antimicrobial efficacy, compounds (9, 10) demonstrated highest potential with IC50=1.08±0.09 to 1.18±0.04 μM against P. falciparum and MIC=0.0058 μmol/mL against C. albicans and E. coli, respectively. The complexes (5, 6) were effectively reduce mitigate oxidative stress with lowest IC50 value of 2.69±0.12 to 2.87±0.09 μM. Moreover, the biological findings were reinforced by a molecular docking investigation involving the potential compounds (2, 7‐10) against dihydroorotate dehydrogenase and sterol 14‐alpha demethylase proteins which exposed complex’s excellent biological response than their parent ligands. ADMET profiling was used to confirm the compounds' oral drug‐like features. This research offers promising prospects for future multi‐functional drug innovations targeting malaria, pathogenic infections, and oxidative stress.

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New bioactive Co (II) coordination polymers with morphline and carboxylate ligands; Synthesis, structures, spectroscopic and thermal properties

Cited by 7 publications

References 41 publications

2-Pyridinecarboxaldehyde-Modified Chitosan–Silver Complexes: Optimized Preparation, Characterization, and Antibacterial Activity

2-Pyridinecarboxaldehyde-Modified Chitosan–Silver Complexes: Optimized Preparation, Characterization, and Antibacterial Activity

A Robust In Vitro Anti‐tuberculosis, Antimicrobial, and Anti‐inflammatory Activities Based on Azomethine Chelates Incorporating Co(II), Ni (II), Cu(II), and Zn(II) Ions: Synthesis, Characterization, and Investigation of the Aspects of Docking Interaction

Unveiling Anti‐Malarial, Antimicrobial, Antioxidant Efficiency and Molecular Docking Study of Synthesized Transition Metal Complexes Derived From Heterocyclic Schiff Base Ligands

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