Search Results - "Petkova, Vladislava"
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N -Methyl- and N -Phenylpiperazine Functionalized Styryl Dyes Inside Cucurbiturils: Theoretical Assessment of the Factors Governing the Host-Guest Recognition
Published in Molecules (Basel, Switzerland) (16-12-2023)“…The family of cucurbiturils (CBs), the unique pumpkin-shaped macrocycles, has received great attention over the past four decades owing to their remarkable…”
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Theoretical Assessment of the Ligand/Metal/Quadruplex Recognition in the Non-Canonical Nucleic Acids Structures
Published in Molecules (Basel, Switzerland) (17-08-2023)“…Quadruplexes (GQs), peculiar DNA/RNA motifs concentrated in specific genomic regions, play a vital role in biological processes including telomere stability…”
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Density Functional Theory Prediction of Laser Dyes-Cucurbit[7]uril Binding Affinities
Published in Molecules (Basel, Switzerland) (01-09-2024)“…Among a variety of diverse host molecules distinguished by specific characteristics, the cucurbit[n]uril (CB) family stands out, being widely known for the…”
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Naphthalimide-Based Amphiphiles: Synthesis and DFT Studies of the Aggregation and Interaction of a Simplified Model System with Water Molecules
Published in Molecules (Basel, Switzerland) (04-09-2024)“…Systems containing amphiphilic/pathic molecules have the tremendous capacity to self-assemble under appropriate conditions to form morphologies with…”
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In Silico Analysis of the Ga3+/Fe3+ Competition for Binding the Iron-Scavenging Siderophores of P. aeruginosa—Implementation of Three Gallium-Based Complexes in the “Trojan Horse” Antibacterial Strategy
Published in Biomolecules (Basel, Switzerland) (16-04-2024)“…The emergence of multidrug-resistant (MDR) microorganisms combined with the ever-draining antibiotic pipeline poses a disturbing and immensely growing public…”
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Cu + /Ag + Competition in Type I Copper Proteins (T1Cu)
Published in Biomolecules (Basel, Switzerland) (01-04-2023)“…Due to the similarity in the basic coordination behavior of their mono-charged cations, silver biochemistry is known to be linked to that of copper in…”
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Density Functional Theory Prediction of Laser Dyes-Cucurbit7uril Binding Affinities
Published in Molecules (Basel, Switzerland) (16-09-2024)“…Among a variety of diverse host molecules distinguished by specific characteristics, the cucurbit[n]uril (CB) family stands out, being widely known for the…”
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Journal Article -
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IN/I-Methyl- and IN/I-Phenylpiperazine Functionalized Styryl Dyes Inside Cucurbiturils: Theoretical Assessment of the Factors Governing the Host–Guest Recognition
Published in Molecules (Basel, Switzerland) (01-12-2023)“…The family of cucurbiturils (CBs), the unique pumpkin-shaped macrocycles, has received great attention over the past four decades owing to their remarkable…”
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Journal Article -
9
In Silico Analysis of the Ga[sup.3+]/Fe[sup.3+] Competition for Binding the Iron-Scavenging Siderophores of IP. aeruginosa/I—Implementation of Three Gallium-Based Complexes in the “Trojan Horse” Antibacterial Strategy
Published in Biomolecules (Basel, Switzerland) (01-04-2024)“…The emergence of multidrug-resistant (MDR) microorganisms combined with the ever-draining antibiotic pipeline poses a disturbing and immensely growing public…”
Get full text
Journal Article -
10
In Silico Analysis of the Ga 3+ /Fe 3+ Competition for Binding the Iron-Scavenging Siderophores of P. aeruginosa -Implementation of Three Gallium-Based Complexes in the "Trojan Horse" Antibacterial Strategy
Published in Biomolecules (Basel, Switzerland) (16-04-2024)“…The emergence of multidrug-resistant (MDR) microorganisms combined with the ever-draining antibiotic pipeline poses a disturbing and immensely growing public…”
Get full text
Journal Article