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Designed Metal-ATCUN Derivatives: Redox- and Non-redox-Based Applications Relevant for Chemistry, Biology, and Medicine.

ABSTRACT: The designed "ATCUN" motif (amino-terminal copper and nickel binding site) is a replica of naturally occurring ATCUN site found in many proteins/peptides, and an attractive platform for multiple applications, which include nucleases, proteases, spectroscopic probes, imaging, and small molecule activation. ATCUN motifs are engineered at periphery by conjugation to recombinant proteins, peptides, fluorophores, or recognition domains through chemically or genetically, fulfilling the needs of various biological relevance and a wide range of practical usages. This chemistry has witnessed significant growth over the last few decades and several interesting ATCUN derivatives have been described. The redox role of the ATCUN moieties is also an important aspect to be considered. The redox potential of designed M-ATCUN derivatives is modulated by judicious choice of amino acid (including stereochemistry, charge, and position) that ultimately leads to the catalytic efficiency. In this context, a wide range of M-ATCUN derivatives have been designed purposefully for various redox- and non-redox-based applications, including spectroscopic probes, target-based catalytic metallodrugs, inhibition of amyloid-? toxicity, and telomere shortening, enzyme inactivation, biomolecules stitching or modification, next-generation antibiotic, and small molecule activation.

SUBMITTER: Maiti BK

PROVIDER: S-EPMC7701195 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature

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Designed Metal-ATCUN Derivatives: Redox- and Non-redox-Based Applications Relevant for Chemistry, Biology, and Medicine.

Maiti Biplab K BK Govil Nidhi N Kundu Taraknath T Moura José J G JJG

iScience 20201110 12

The designed "ATCUN" motif (amino-terminal copper and nickel binding site) is a replica of naturally occurring ATCUN site found in many proteins/peptides, and an attractive platform for multiple applications, which include nucleases, proteases, spectroscopic probes, imaging, and small molecule activation. ATCUN motifs are engineered at periphery by conjugation to recombinant proteins, peptides, fluorophores, or recognition domains through chemically or genetically, fulfilling the needs of variou ...[more]

PMID: 33294799

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Project description:Meso tetraarylporphyrinato gold(iii) cations bearing different substituents at the aryl substituents (COOMe, COOH, NO2, NH2, NHAc, H, O n Bu, CF3) were prepared and characterised. Their reversible one-electron reductions were studied by (spectro)electrochemical means as well as by selective chemical one-electron reduction using cobaltocene. The preferred location of the spin density, namely gold centred or porphyrin centred, was probed by electron paramagnetic resonance spectroscopy (g values, 197Au hyperfine coupling) as well as by density functional theory calculations (spin densities). In all cases studied experimentally and theoretically, the gold(ii) valence isomer (5d9 electron configuration) is preferred over the porphyrin π radical anion. In the hexafluorophosphate salt of the nitro derivative a further nitro π radical anion valence isomeric species is significantly populated. In the presence of chloride ions this nitro π radical anion/AuII valence isomeric equilibrium evolves towards the porphyrin π radical anion. The electronic structures of the nitro π radical and the AuII σ radical valence isomers (5d x2-y2 orbital) could be calculated by DFT methods. The electron transfer pathway between the nitro π radical anion and the AuII valence isomer is well described by the location of the hexfluorophosphate counterion, the Au-N distances (corresponding to the totally symmetric stretching vibration), the symmetric stretching mode of the NO2 substituent and a meso-nitrophenyl rotation. The specific geometric and electronic properties of the favoured gold(ii) σ radical valence isomer, namely counterion dislocation and σ symmetry of the redox orbital, might stabilise charge-shifted states [(gold(ii) porphyrin)-donor˙+] by retarding the back electron transfer to give the ground state (gold(iii) porphyrin)-donor. This will guide the design of (photo-induced) electron transfer pathways with tetraarylporphyrinato gold(iii) complexes as electron acceptors.

Dataset Information

Designed Metal-ATCUN Derivatives: Redox- and Non-redox-Based Applications Relevant for Chemistry, Biology, and Medicine.

Publications

Designed Metal-ATCUN Derivatives: Redox- and Non-redox-Based Applications Relevant for Chemistry, Biology, and Medicine.

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