Bioinorganic chemistry

Vilar, Ramón

doi:10.1039/b818285j

Cited by 3 publications

(3 citation statements)

References 149 publications

(127 reference statements)

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“…The relatively unknown structural properties of ACE2’s and the virus’s surfaces drew our attention in the search for compounds with therapeutic potential against the SARS-CoV-2 virus. Cationic metal complexes were appealing in this regard because positively charged metal complexes may block virus receptor binding domains from binding to ACE2 in host cells, and various metal complexes have been explored for biological activities, including antiviral capabilities [ 67 , 68 , 69 ].…”

Section: Metal Complexes As Potential Compounds To Block Sars-cov-2 F...mentioning

confidence: 99%

Development of Metal Complexes for Treatment of Coronaviruses

El‐Lateef

El‐Dabea

Khalaf

et al. 2022

IJMS

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Coronavirus disease (SARS-CoV-2) is a global epidemic. This pandemic, which has been linked to high rates of death, has forced some countries throughout the world to implement complete lockdowns in order to contain the spread of infection. Because of the advent of new coronavirus variants, it is critical to find effective treatments and vaccines to prevent the virus’s rapid spread over the world. In this regard, metal complexes have attained immense interest as antibody modifiers and antiviral therapies, and they have a lot of promise towards SARS-CoV-2 and their suggested mechanisms of action are discussed, i.e., a new series of metal complexes’ medicinal vital role in treatment of specific proteins or SARS-CoV-2 are described. The structures of the obtained metal complexes were fully elucidated by different analytical and spectroscopic techniques also. Molecular docking and pharmacophore studies presented that most of complexes studied influenced good binding affinity to the main protease SARS-CoV-2, which also was attained as from the RCSB pdb (Protein Data Bank) data PDB ID: 6 W41, to expect the action of metal complexes in contradiction of COVID-19. Experimental research is required to determine the pharmacokinetics of most of the complexes analyzed for the treatment of SARS-CoV-2-related disease. Finally, the toxicity of a metal-containing inorganic complex will thus be discussed by its capability to transfer metals which may bind with targeted site.

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Section: Metal Complexes As Potential Compounds To Block Sars-cov-2 F...mentioning

confidence: 99%

Development of Metal Complexes for Treatment of Coronaviruses

El‐Lateef

El‐Dabea

Khalaf

et al. 2022

IJMS

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“…In addition, researchers have explored the structure and properties of Salophen derivatives to expand their applications in more fields. These research achievements are of great significance for understanding the chemistry of metal complexes and bioinorganic chemistry among other fields [12]. Salophen is an excellent ligand that could potentially be used for the treatment of lead and mercury, and also provide important guidance for that in the environment [13] .…”

Section: Introductionmentioning

confidence: 99%

Computer simulation and prediction of coordination capture of Pb2+ and Hg2+ by the Salophen

Duan,

Ling,

Lan

et al. 2023

Third International Conference on Advanced Algorithms and Signal Image Processing (AASIP 2023)

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This study used Gauss 16 computing software based on the computational methods of density functional theory (DFT) to simulate and compare the Salophen-Cd and Salophen-Hg complexes. The structural parameters, infrared vibrational, ultraviolet absorption spectra and coordination binding energies of the Salophen ligand with Cd2+ and Hg were analyzed and compared. The results showed that Salophen can form stable complexes with Cd2+ and Hg2+, which can be qualitatively distinguished by their characteristic infrared vibrational spectra and ultraviolet absorption peak values. Importantly, Salophen showed a significantly higher capture ability for Cd than for Hg, suggesting its potential application in the selective capture of Cd2+.

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“…In addition to the arsenal of modern physical techniques and instrumentation available for studies of biomolecules [5], synthetic modeling has been pursued as a complementary method for understanding complex biological systems [6]. It provides a convenient simplification of elaborate macromolecules in a real, rather than a virtual, computational, platform [7].…”

Section: Introductionmentioning

confidence: 99%

Evolution of strategies to prepare synthetic mimics of carboxylate-bridged diiron protein active sites

Lippard

2011

Journal of Inorganic Biochemistry

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We present a comprehensive review of research conducted in our laboratory in pursuit of the long-term goal of reproducing the structures and reactivity of carboxylate-bridged diiron centers used in biology to activate dioxygen for the conversion of hydrocarbons to alcohols and related products. This article describes the evolution of strategies devised to achieve these goals and illustrates the challenges in getting there. Particular emphasis is placed on controlling the geometry and coordination environment of the diiron core, preventing formation of polynuclear iron clusters, maintaining the structural integrity of model complexes during reactions with dioxygen, and tuning the ligand framework to stabilize desired oxygenated diiron species. Studies of the various model systems have improved our understanding of the electronic and physical characteristics of carboxylate-bridged diiron units and their reactivity toward molecular oxygen and organic moieties. The principles and lessons that have emerged from these investigations will guide future efforts to develop more sophisticated diiron protein model complexes.

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Bioinorganic chemistry

Cited by 3 publications

References 149 publications

Development of Metal Complexes for Treatment of Coronaviruses

Development of Metal Complexes for Treatment of Coronaviruses

Computer simulation and prediction of coordination capture of Pb2+ and Hg2+ by the Salophen

Evolution of strategies to prepare synthetic mimics of carboxylate-bridged diiron protein active sites

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