Synthesis and characterization of mixed-ligand Zn(II) and Cu(II) complexes including polyamines and dicyano-dithiolate(2-): In vitro cytotoxic activity of Cu(II) compounds

Adhikari, Suman; Bhattacharjee, Tirtha; Butcher, Raymond J.; Porchia, Marina; Franco, Michele De; Marzano, Cristina; Gandin, Valentina; Tisato, Francesco

doi:10.1016/j.ica.2019.119098

“…As a result, it forms ligands with multiple zinc clusters containing two to four ions in the metal intra-sphere binding geometry [121] and frequently forms dimeric or polymeric species [64]. Their stereochemistry dominates, with octahedrons in solutions, tetrahedrons in proteins, and a few distorted trigonal bipyramidon examples [122]. Due to its unique chemical features for promoting ligand exchanges, it coordinates into different geometries, resulting in the ubiquitous presence of thousands of proteins and enzymes [123].…”

Section: Copper and Zinc In Chelating Structuresmentioning

confidence: 99%

Combining Copper and Zinc into a Biosensor for Anti-Chemoresistance and Achieving Osteosarcoma Therapeutic Efficacy

Zaidi¹,

Miskon²

2023

Preprint

0

View full text Add to dashboard Cite

Due to its built-up chemoresistance after prolonged usage, the demand for replacing platinum in metal-based drugs (MBD) is rising. The first MBD approved by the FDA for cancer therapy was cisplatin in 1978. Even after nearly four and a half decades of trials, there has been no significant improvement in osteosarcoma (OS) therapy. In fact, many MBD have been developed, but the chemoresistance problem raised by platinum remains unresolved. This motivates us to elucidate the possibilities of the copper and zinc (CuZn) combination to replace platinum in MBD. Thus, the anti-chemoresistance properties of CuZn and their physiological functions for OS therapy are highlighted. Herein, we summarise their chelators, main organic solvents, and ligand functions in their structures that are involved in anti-chemoresistance properties. Through this review, it is rational to discuss their ligands’ roles as biosensors in drug delivery systems. Hereafter, an in-depth understanding of their redox and photoactive function relationships is provided. The disadvantage is that the other functions of biosensors cannot be elaborated on here. As a result, this review is being developed, which is expected to intensify OS drugs with higher cure rates. Nonetheless, this advancement intends to solve the major chemoresistance obstacle towards clinical efficacy.

show abstract

“…As a result, it forms ligands with multiple zinc clusters containing two to four ions in the metal intra-sphere-binding geometry [ 116 ] and frequently forms dimeric or polymeric species [ 61 ]. Their stereochemistry dominates, with octahedrons in solutions, tetrahedrons in proteins, and a few distorted trigonal bipyramidon examples [ 117 ]. Due to its unique chemical features for promoting ligand exchanges, it coordinates into different geometries, resulting in the ubiquitous presence of thousands of proteins and enzymes [ 118 ].…”

Section: Copper Zinc and Cuzn Structures In Anti-chemoresistancementioning

confidence: 99%

Combining Copper and Zinc into a Biosensor for Anti-Chemoresistance and Achieving Osteosarcoma Therapeutic Efficacy

Zaidi

¹

,

Miskon

²

2023

Molecules

16

0

View full text Add to dashboard Cite

Due to its built-up chemoresistance after prolonged usage, the demand for replacing platinum in metal-based drugs (MBD) is rising. The first MBD approved by the FDA for cancer therapy was cisplatin in 1978. Even after nearly four and a half decades of trials, there has been no significant improvement in osteosarcoma (OS) therapy. In fact, many MBD have been developed, but the chemoresistance problem raised by platinum remains unresolved. This motivates us to elucidate the possibilities of the copper and zinc (CuZn) combination to replace platinum in MBD. Thus, the anti-chemoresistance properties of CuZn and their physiological functions for OS therapy are highlighted. Herein, we summarise their chelators, main organic solvents, and ligand functions in their structures that are involved in anti-chemoresistance properties. Through this review, it is rational to discuss their ligands’ roles as biosensors in drug delivery systems. Hereafter, an in-depth understanding of their redox and photoactive function relationships is provided. The disadvantage is that the other functions of biosensors cannot be elaborated on here. As a result, this review is being developed, which is expected to intensify OS drugs with higher cure rates. Nonetheless, this advancement intends to solve the major chemoresistance obstacle towards clinical efficacy.

show abstract

“…Zinc, with an [Ar]3d 10 4s 2 electronic configuration, has only one oxidation state Zn 2+ that has a completely filled d-shell. Such a configuration enables Zn 2+ to accommodate various ligands in a highly flexible coordination geometry and to have relatively fast ligand-exchange reactions . Zinc usually coordinates with N, O, and S donor ligands in tetrahedral, trigonal bipyramidal, or octahedral geometries.…”

Section: Introductionmentioning

confidence: 99%

Modeling Zinc Complexes Using Neural Networks

Jin,

Merz

2024

J. Chem. Inf. Model.

4

0

View full text Add to dashboard Cite

Understanding the energetic landscapes of large molecules is necessary for the study of chemical and biological systems. Recently, deep learning has greatly accelerated the development of models based on quantum chemistry, making it possible to build potential energy surfaces and explore chemical space. However, most of this work has focused on organic molecules due to the simplicity of their electronic structures as well as the availability of data sets. In this work, we build a deep learning architecture to model the energetics of zinc organometallic complexes. To achieve this, we have compiled a configurationally and conformationally diverse data set of zinc complexes using metadynamics to overcome the limitations of traditional sampling methods. In terms of the neural network potentials, our results indicate that for zinc complexes, partial charges play an important role in modeling the longrange interactions with a neural network. Our developed model outperforms semiempirical methods in predicting the relative energy of zinc conformers, yielding a mean absolute error (MAE) of 1.32 kcal/mol with reference to the double-hybrid PWPB95 method.

show abstract

Synthesis and characterization of mixed-ligand Zn(II) and Cu(II) complexes including polyamines and dicyano-dithiolate(2-): In vitro cytotoxic activity of Cu(II) compounds

Cited by 33 publications

References 27 publications

Combining Copper and Zinc into a Biosensor for Anti-Chemoresistance and Achieving Osteosarcoma Therapeutic Efficacy

Combining Copper and Zinc into a Biosensor for Anti-Chemoresistance and Achieving Osteosarcoma Therapeutic Efficacy

Combining Copper and Zinc into a Biosensor for Anti-Chemoresistance and Achieving Osteosarcoma Therapeutic Efficacy

Modeling Zinc Complexes Using Neural Networks

Contact Info

Product

Resources

About