Discovery of new thiazolidin-4-one and thiazole nucleus incorporation sulfaguanidine scaffold as new class of antimicrobial agents: Design, synthesis, in silico ADMET, and docking simulation

Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 141879 - 141879

Published: Feb. 1, 2025

Language: Английский

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Advancements in Manufacturing and Applications of Starch-Based Antimicrobial Materials

Polymer Reviews, Journal Year: 2025, Volume and Issue: unknown, P. 1 - 40

Published: Feb. 28, 2025

Language: Английский

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Antimicrobial activity of guanidine-based terpolymers: Synthesis, Spectroscopy (FT-IR, 1H, and 13C NMR), Quantum chemical investigation, and molecular docking

Journal of Molecular Structure, Journal Year: 2023, Volume and Issue: 1298, P. 137005 - 137005

Published: Nov. 4, 2023

Language: Английский

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Strong Bases and beyond: The Prominent Contribution of Neutral Push–Pull Organic Molecules towards Superbases in the Gas Phase

International Journal of Molecular Sciences, Journal Year: 2024, Volume and Issue: 25(11), P. 5591 - 5591

Published: May 21, 2024

In this review, the principles of gas-phase proton basicity measurements and theoretical calculations are recalled as a reminder how PA/GB scale, based on Brønsted–Lowry theory, was constructed in (PA—proton affinity and/or GB—gas-phase enthalpy Gibbs energy respectively). The origins exceptionally strong some organic nitrogen bases containing N-sp3 (amines), N-sp2 (imines, amidines, guanidines, polyguanides, phosphazenes), N-sp (nitriles) rationalized. particular, role push–pull development superbasicity region is emphasized. Some reasons for difficulties poly-functional highlighted. Various structural phenomena being relation with acid–base equilibria that should be considered quantum-chemical parameters discussed. preparation methods site protonation briefly reviewed. Finally, recent trends research neutral superbases, leaning toward catalytic other remarkable applications, underlined.

Language: Английский

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Platinum(ii) complexes of aryl guanidine-like derivatives as potential anticancer agents: between coordination and cyclometallation

RSC Advances, Journal Year: 2025, Volume and Issue: 15(5), P. 3427 - 3438

Published: Jan. 1, 2025

The preparation of a wide variety Pt( ii ) complexes with aryl guanidines and their potential application as anticancer agents have been explored.

Language: Английский

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Antifungal activity of guanidine compounds

Brazilian Journal of Microbiology, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 12, 2025

Language: Английский

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Synthesis, Antimicrobial Activities, and Model of Action of Indolyl Derivatives Containing Amino-Guanidinium Moieties

Molecules, Journal Year: 2025, Volume and Issue: 30(4), P. 887 - 887

Published: Feb. 14, 2025

The objectives of the study were to design, synthesize, and evaluate antibacterial activity a series novel aminoguanidine-indole derivatives. Thirty-seven new compounds effectively synthesized through nucleophilic substitution reaction guanidinylation reaction. Chemical structures all desired identified by NMR HR-MS spectroscopy. Most showed significant against ESKAPE pathogens clinical resistant Klebsiella pneumoniae (K. pneumoniae) isolates. K. is an important opportunistic pathogen that often threatens health immunocompromised people such as elderly, children, ICU patients. most active compound 4P rapid bactericidal 2108 with MIC MBC values 4 8 µg/mL, respectively. hemolytic was low, HC50 value 123.6 µg/mL. Compound induced depolarization bacterial membrane disrupted integrity not prone antibiotic resistance. dihydrofolate reductase (DHFR) also notably inhibited in vitro. Molecular docking revealed aminoguanidine moiety indole structure played role binding target site receptor. In mouse pneumonia model caused pneumoniae, improved survival rate mice, reduced loads, alleviated tissues' pathological injuries at dosage mg/kg. Therefore, may be promising lead or drug candidate for purposes pneumoniae.

Language: Английский

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What Happens Inside the Germinating Grain After Microbial Decontamination by Pulsed Electric Field? Data-Driven Multi-Omics Helps Find the Answer

Molecules, Journal Year: 2025, Volume and Issue: 30(4), P. 924 - 924

Published: Feb. 17, 2025

Pulsed electric field (PEF) has previously been recognized as a method of gentle food processing, and its use shown to be helpful in reducing the levels toxigenic Fusarium micromycetes developed during malting. The aim this study was describe effects PEF on gene expression metabolite production at pre-finishing stage barley malting by using novel multi-omics data-driven approach. helps uncover processes occurring germinated grain discusses up-/downregulation genes metabolites relation fungal infection and/or PEF-induced abiotic stress. Among factors upregulated described supportive against diseases, we identified increased encoding vegetative gp1-like protein, which positively correlated with flavonoids, (methylsulfanyl)prop-2-enoates, triterpenoid glycosides, indole alkaloids. On other hand, some associated resistance were also overexpressed untreated control (in particular, ethylene response factor 3-like, putrescine hydroxycinnamoyltransferase dirigent protein 21-like). This provides first ‘data-driven’ basic research results that contribute understanding role an effective decontamination strategy allows formulation new hypotheses related pathogen crosstalk.

Language: Английский

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Exploration of Novel Antimicrobial Agents against Foodborne Pathogens via a Deep Learning Approach

Journal of Agricultural and Food Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: March 13, 2025

The emergence of antibiotic-resistant bacteria poses a severe threat to food safety and human health, necessitating an urgent search for novel antimicrobial agents that can be applied in the industry. This study utilizes deep learning approach establish optimal models antibacterial activity against foodborne pathogens, particularly Escherichia coli Staphylococcus aureus, as well predicting carcinogenicity. These are screen natural products from COCONUT database, resulting identification 130 compounds with both noncarcinogenic properties. Two products, bis(hexamethylene)triamine N-phenethylbiguanide, selected experimental validation their activity. confirmation properties validates reliability developed this study. By providing innovative identifying research offers new insights discovering effective antimicrobials efficient manner.

Language: Английский

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Comprehensive regulation of swelling, salt-shrinkage resistance and antibacterial abilities towards polyamidoxime fibers for efficient uranium extraction from seawater

Chemical Engineering Journal, Journal Year: 2025, Volume and Issue: unknown, P. 162631 - 162631

Published: April 1, 2025

Language: Английский

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