Search Results - "Kircheva, Nikoleta"

Carbonic Anhydrases: Different Active Sites, Same Metal Selectivity Rules by Kircheva, Nikoleta, Angelova, Silvia, Dudev, Todor

“…Carbonic anhydrases are mononuclear metalloenzymes catalyzing the reversible hydration of carbon dioxide in organisms belonging to all three domains of life…”
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Lanthanides as Calcium Mimetic Species in Calcium-Signaling/Buffering Proteins: The Effect of Lanthanide Type on the Ca2+/Ln3+ Competition by Nikolova, Valya, Kircheva, Nikoleta, Dobrev, Stefan, Angelova, Silvia, Dudev, Todor

“…Lanthanides, the 14 4f-block elements plus Lanthanum, have been extensively used to study the structure and biochemical properties of metalloproteins. The…”
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Metal-Assisted Complexation of Fluorogenic Dyes by Cucurbit[7]uril and Cucurbit[8]uril: A DFT Evaluation of the Key Factors Governing the Host-Guest Recognition by Kircheva, Nikoleta, Dobrev, Stefan, Dasheva, Lyubima, Nikolova, Valya, Angelova, Silvia, Dudev, Todor

“…With the emergence of host-guest systems, a novel branch of complexation chemistry has found wide application in industries such as food, pharmacy, medicine,…”
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N -Methyl- and N -Phenylpiperazine Functionalized Styryl Dyes Inside Cucurbiturils: Theoretical Assessment of the Factors Governing the Host-Guest Recognition by Kircheva, Nikoleta, Petkova, Vladislava, Dobrev, Stefan, Nikolova, Valya, Angelova, Silvia, Dudev, Todor

“…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 by Kircheva, Nikoleta, Dobrev, Stefan, Petkova, Vladislava, Bakalova, Snezhana, Kaneti, Jose, Angelova, Silvia

“…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 by Petkova, Vladislava, Dobrev, Stefan, Kircheva, Nikoleta, Nazarova, Dimana, Nedelchev, Lian, Nikolova, Valya, Dudev, Todor, Angelova, Silvia

“…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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Complexation of trivalent metal cations (Al 3+ , Ga 3+ , In 3+ , La 3+ , Lu 3+ ) to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host-guest recognition by Koleva, Iskra Z, Dobrev, Stefan, Kircheva, Nikoleta, Dasheva, Lyubima, Nikolova, Valya, Angelova, Silvia, Dudev, Todor

“…Cucurbiturils (CBs), the pumpkin-shaped macrocycles, are suitable hosts for an array of neutral and cationic species. A plethora of host-guest complexes…”
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Naphthalimide-Based Amphiphiles: Synthesis and DFT Studies of the Aggregation and Interaction of a Simplified Model System with Water Molecules by Petkova, Vladislava, Anastasova, Denitsa, Dobrev, Stefan, Mutovska, Monika, Kircheva, Nikoleta, Nikolova, Valya, Kolev, Spas D, Stoyanov, Stanimir, Zagranyarski, Yulian, Dudev, Todor, Angelova, Silvia

“…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 by Kircheva, Nikoleta, Dobrev, Stefan, Petkova, Vladislava, Yocheva, Lyubima, Angelova, Silvia, Dudev, Todor

“…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) by Kircheva, Nikoleta, Angelova, Silvia, Dobrev, Stefan, Petkova, Vladislava, Nikolova, Valya, Dudev, Todor

“…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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Spasmolytic Activity and Anti-Inflammatory Effect of Novel Mebeverine Derivatives by Stoyanova, Mihaela, Milusheva, Miglena, Gledacheva, Vera, Stefanova, Iliyana, Todorova, Mina, Kircheva, Nikoleta, Angelova, Silvia, Pencheva, Mina, Stojnova, Kirila, Tsoneva, Slava, Nikolova, Stoyanka

“…: Irritable bowel syndrome (IBS) has a major negative influence on quality of life, causing cramps, stomach pain, bloating, constipation, etc. Antispasmodics…”
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Strontium Binding to α-Parvalbumin, a Canonical Calcium-Binding Protein of the “EF-Hand” Family by Vologzhannikova, Alisa A., Shevelyova, Marina P., Kazakov, Alexey S., Sokolov, Andrey S., Borisova, Nadezhda I., Permyakov, Eugene A., Kircheva, Nikoleta, Nikolova, Valya, Dudev, Todor, Permyakov, Sergei E.

“…Strontium salts are used for treatment of osteoporosis and bone cancer, but their impact on calcium-mediated physiological processes remains obscure. To…”
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Gallium as an Antibacterial Agent: A DFT/SMD Study of the Ga3+/Fe3+ Competition for Binding Bacterial Siderophores by Kircheva, Nikoleta, Dudev, Todor

“…The urgency of finding novel antibacterial drugs (not only antibiotics), exhibiting different mechanisms of therapeutic action, is significant and has served…”
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Competition between abiogenic and biogenic metal cations in biological systems: Mechanisms of gallium's anticancer and antibacterial effect by Kircheva, Nikoleta, Dudev, Todor

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Novel Insights into Gallium’s Mechanism of Therapeutic Action: A DFT/PCM Study of the Interaction between Ga3+ and Ribonucleotide Reductase Substrates by Kircheva, Nikoleta, Dudev, Todor

“…The broadly accepted mechanism of gallium’s therapeutic action postulates the inactivation of the upregulated/hyperactive enzyme ribonucleotide reductase (RNR)…”
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Competition between abiogenic and biogenic metal cations in biological systems: Mechanisms of gallium‘s anticancer and antibacterial effect by Kircheva, Nikoleta, Dudev, Todor

“…Metal cations are key players in a plethora of essential biological processes. Over the course of evolution specific biological functions have been bestowed…”
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Gallium as an Antibacterial Agent: A DFT/SMD Study of the Ga 3+ /Fe 3+ Competition for Binding Bacterial Siderophores by Kircheva, Nikoleta, Dudev, Todor

“…The urgency of finding novel antibacterial drugs (not only antibiotics), exhibiting different mechanisms of therapeutic action, is significant and has served…”
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Novel Insights into Gallium's Mechanism of Therapeutic Action: A DFT/PCM Study of the Interaction between Ga 3+ and Ribonucleotide Reductase Substrates by Kircheva, Nikoleta, Dudev, Todor

“…The broadly accepted mechanism of gallium's therapeutic action postulates the inactivation of the upregulated/hyperactive enzyme ribonucleotide reductase (RNR)…”
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Theoretical Insight into the Phosphate-Targeted Silver’s Antibacterial Action: Differentiation between Gram (+) and Gram (−) Bacteria by Kircheva, Nikoleta, Dobrev, Stefan, Nikolova, Valya, Angelova, Silvia, Dudev, Todor

“…Although silver is one of the first metals finding broad applications in everyday life, specific key points of the intimate mechanism of its…”
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Holo-chromodulin: competition between the native Cr3+ and other biogenic cations (Fe3+, Fe2+, Mg2+, and Zn2+) for the binding sites by Kircheva, Nikoleta, Toshev, Nikolay, Dudev, Todor

“…Chromodulin is an oligopeptide that has an essential role for the flawless functioning of insulin. Although the precise sequence of the constituent amino acid…”
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