Search Results - "Pieńko, Tomasz"
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Computational Methods Used to Explore Transport Events in Biological Systems
Published in Journal of chemical information and modeling (28-05-2019)“…Transport of various molecules facilitated with membrane proteins is necessary for maintaining homeostasis in living cells. In humans, dysfunction of these…”
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Extracellular loops of BtuB facilitate transport of vitamin B12 through the outer membrane of E. coli
Published in PLoS computational biology (01-07-2020)“…Vitamin B12 (or cobalamin) is an enzymatic cofactor essential both for mammals and bacteria. However, cobalamin can be synthesized only by few microorganisms…”
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Balancing Nonsense Mutation Readthrough and Toxicity of Designer Aminoglycosides for Treatment of Genetic Diseases
Published in ACS medicinal chemistry letters (08-06-2023)“…New derivatives of aminoglycosides with a side chain 1,2-aminoalcohol at the 5” position of ring III were designed, synthesized, and biologically evaluated…”
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Dynamic Intramolecular Cap for Preserving Metallodrug IntegrityA Case of Catalytic Fluoroquinolones
Published in Journal of medicinal chemistry (27-10-2022)“…A library of eight new fluoroquinolone–nuclease conjugates containing a guanidinoethyl or aminoethyl auxiliary pendant on the cyclen moiety was designed and…”
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The protein phosphorylation landscape in photosystem I of the desert algae Chlorella sp
Published in The New phytologist (01-04-2024)“…Summary The phosphorylation of photosystem II (PSII) and its antenna (LHCII) proteins has been studied, and its involvement in state transitions and PSII…”
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Artificial Activation of Escherichia coli mazEF and hipBA Toxin-Antitoxin Systems by Antisense Peptide Nucleic Acids as an Antibacterial Strategy
Published in Frontiers in microbiology (26-11-2018)“…The search for new, non-standard targets is currently a high priority in the design of new antibacterial compounds. Bacterial toxin-antitoxin systems (TAs) are…”
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Conformational Dynamics of Cyanocobalamin and Its Conjugates with Peptide Nucleic Acids
Published in The journal of physical chemistry. B (13-04-2017)“…Vitamin B12 also called cobalamin (Cbl) is an important enzymatic cofactor taken up by mammalian and also by many bacterial cells. Peptide nucleic acid (PNA)…”
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Vitamin B12-peptide nucleic acids use the BtuB receptor to pass through the Escherichia coli outer membrane
Published in Biophysical journal (16-02-2021)“…Short modified oligonucleotides that bind in a sequence-specific way to messenger RNA essential for bacterial growth could be useful to fight bacterial…”
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Towards catalytic aminoglycoside: Probing the modification of kanamycin B at the 3′- and 4′-positions
Published in Tetrahedron (25-04-2023)“…The chemistry of selective modification of kanamycin B at the 3′- and 4′-positions of ring I and the evaluation of the resulting derivatives in cell-free…”
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Towards Catalytic Antibiotics: Redesign of Aminoglycosides To Catalytically Disable Bacterial Ribosomes
Published in Chembiochem : a European journal of chemical biology (18-01-2019)“…The emergence of multidrug‐resistant pathogens that are resistant to the majority of currently available antibiotics is a significant clinical problem. The…”
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Fullerene Derivatives of Nucleoside HIV Reverse Transcriptase Inhibitors-In Silico Activity Prediction
Published in International journal of molecular sciences (19-10-2018)“…Here we present new derivatives of nucleoside reverse transcriptase inhibitors with a C fullerene. The computational chemistry methods used in this study…”
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Cytisine basicity, solvation, log P , and log D theoretical determination as tool for bioavailability prediction
Published in Journal of molecular graphics & modelling (01-01-2016)“…Cytisine, an alpha 4 beta 2 nicotinic receptor partial agonist, is a plant alkaloid widely used as a smoking cessation agent. Despite long history of use,…”
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Exploring eukaryotic versus prokaryotic ribosomal RNA recognition with aminoglycoside derivatives
Published in MedChemComm (01-03-2018)“…New derivatives of aminoglycosides containing 6'-carboxylic acid or 6'-amide on their ring I were designed, synthesized and their ability to readthrough…”
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Adsorption of Antifungal Drugs Inside Pristine and Functionalized Fullerenes and Nanotubes: DFT Investigation
Published in Current computer-aided drug design (01-09-2017)“…Econazole, sulconazole and tioconazole usage as antifungal agents is limited due to poor pharmacokinetic properties. Pristine and hydroxylated structures of…”
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Correction: Extracellular loops of BtuB facilitate transport of vitamin B12 through the outer membrane of E. coli
Published in PLoS computational biology (20-12-2021)“…[This corrects the article DOI: 10.1371/journal.pcbi.1008024.]…”
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Cytisine basicity, solvation, logP, and logD theoretical determination as tool for bioavailability prediction
Published in Journal of molecular graphics & modelling (01-01-2016)“…[Display omitted] •Boltzmann populations of cytisine conformations in water were computed.•Theoretical pKa of cytisine is in accordance with experiment.•The…”
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Correction: Extracellular loops of BtuB facilitate transport of vitamin B.sub.12 through the outer membrane of E. coli
Published in PLoS computational biology (20-12-2021)Get full text
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Exploring eukaryotic versus prokaryotic ribosomal RNA recognition with aminoglycoside derivatives† †Electronic supplementary information (ESI) available: Simulation methods, biochemical assays, synthetic procedures, and copies of NMR spectra (PDF). See DOI: 10.1039/c8md00001h
Published in MedChemComm (02-02-2018)“…New aminoglycosides containing 6′-carboxylic acid or 6′-amide were designed, synthesized and their ability to readthrough nonsense mutations was examined. New…”
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Extracellular loops of BtuB facilitate transport of vitamin B.sub.12 through the outer membrane of E. coli
Published in PLoS computational biology (01-07-2020)“…Vitamin B.sub.12 (or cobalamin) is an enzymatic cofactor essential both for mammals and bacteria. However, cobalamin can be synthesized only by few…”
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