Artificial Metalloproteins: At the Interface between Biology and Chemistry

Kerns, Spencer A.; Biswas, Ankita; Minnetian, Natalie; Borovik, A. S.

doi:10.1021/jacsau.2c00102

Cited by 22 publications

(12 citation statements)

References 117 publications

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“…Thus, artificial metalloproteins are built by introducing metallocofactors into a natural protein. Detailed examples of bioinorganic active sites of cupredoxins, commonly known as blue copper proteins, are presented by Borovik and his team [130]. The transfer of electrons between the Cu 2+ and Cu + redox states causes the active sites of cupredoxins to present a distorted trigonal monopyramidal coordination geometry for the Cu(I) and Cu(II) states.…”

Section: Metallo-supramolecular Hydrogelsmentioning

confidence: 99%

Structural Strategies of Supramolecular Hydrogels and Their Applications

Sánchez-Fernández¹

2023

Preprint

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Supramolecular structures are of great interest due to their applicability in various scientific and industrial fields. These fields of scientific action include promising applications i biomedical areas, in sensing, and in conductive and electrical phases. The sensible definition of supramolecular molecules is being set by investigators, who, because of the different sensitivities of their methods and observational timescales, may have different views as to what constitute these supramolecular structures. Besides, diverse polymers can be found to offer unique avenues for multifunctional systems with properties in medicine industrial applications. Aspects of this review provide different conceptual strategies to address molecular design, properties, and potential applications of self-assembly materials and the use of metal coordination as a feasible and useful strategy for constructing complex supramolecular structures. In this order of appreciations and ideas order, it is that this review report involves classic topics such as hydrogels that range from their relationship with drug delivery systems, to metallo-supramolecular materials, through applications in ophthalmic systems, in applications that require adhesiveness and electrically conductive hydrogels. This review also addresses systems that are largely based on hydrogel chemistry and the enormous opportunities to design very specific structures for applications that demand enormous specificity.

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Section: Metallo-supramolecular Hydrogelsmentioning

confidence: 99%

Structural Strategies of Supramolecular Hydrogels and Their Applications

Sánchez-Fernández¹

2023

Preprint

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“…Thus, artificial metalloproteins are built by introducing metallocofactors into a natural protein. Detailed examples of the bioinorganic active sites of cupredoxins, commonly known as blue copper proteins, are presented by Borovik and his team [ 135 ]. The transfer of electrons between the Cu 2+ and Cu + redox states causes the active sites of cupredoxins to present a distorted trigonal monopyramidal coordination geometry in the Cu(I) and Cu(II) states.…”

Section: Selected Applications Of Hydrogels Based On Supramolecular S...mentioning

confidence: 99%

Structural Strategies for Supramolecular Hydrogels and Their Applications

Sánchez-Fernández¹

2023

Polymers

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Supramolecular structures are of great interest due to their applicability in various scientific and industrial fields. The sensible definition of supramolecular molecules is being set by investigators who, because of the different sensitivities of their methods and observational timescales, may have different views on as to what constitutes these supramolecular structures. Furthermore, diverse polymers have been found to offer unique avenues for multifunctional systems with properties in industrial medicine applications. Aspects of this review provide different conceptual strategies to address the molecular design, properties, and potential applications of self-assembly materials and the use of metal coordination as a feasible and useful strategy for constructing complex supramolecular structures. This review also addresses systems that are based on hydrogel chemistry and the enormous opportunities to design specific structures for applications that demand enormous specificity. According to the current research status on supramolecular hydrogels, the central ideas in the present review are classic topics that, however, are and will be of great importance, especially the hydrogels that have substantial potential applications in drug delivery systems, ophthalmic products, adhesive hydrogels, and electrically conductive hydrogels. The potential interest shown in the technology involving supramolecular hydrogels is clear from what we can retrieve from the Web of Science.

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“…The computational design of functional proteins is a growing field with a wide range of applications. , A longstanding area of interest is the design of metalloproteins. − Many naturally occurring proteins are stabilized by metal binding, and enzymes frequently use metals to promote catalysis. Two general approaches have been used for the structure-based design of novel metalloproteins.…”

Section: Introductionmentioning

confidence: 99%

Inside-Out Design of Zinc-Binding Proteins with Non-Native Backbones

et al. 2023

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The de novo design of functional proteins requires specification of tertiary structure and incorporation of molecular binding sites. Here, we develop an inside-out design strategy in the molecular modeling program Rosetta that begins with amino acid side chains from one or two α-helices making well-defined contacts with a ligand. A full-sized protein is then built around the ligand by adding additional helices that promote the formation of a protein core and allow additional contacts with the ligand. The protocol was tested by designing 12 zinc-binding proteins, each with 4−5 helices. Four of the designs were folded and bound to zinc with equilibrium dissociation constants varying between 95 nM and 1.1 μM. The design with the tightest affinity for zinc, N12, adopts a unique conformation in the folded state as assessed with nuclear magnetic resonance (NMR) and the design model closely matches (backbone root-mean-square deviation (RMSD) < 1 Å) an AlphaFold model of the sequence. Retrospective analysis with AlphaFold suggests that the sequences of many of the failed designs did not encode the desired tertiary packing.

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Artificial Metalloproteins: At the Interface between Biology and Chemistry

Cited by 22 publications

References 117 publications

Structural Strategies of Supramolecular Hydrogels and Their Applications

Structural Strategies of Supramolecular Hydrogels and Their Applications

Structural Strategies for Supramolecular Hydrogels and Their Applications

Inside-Out Design of Zinc-Binding Proteins with Non-Native Backbones

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