Synergistic Exploration of Thiazole Derivatives: Synthesis, Antimicrobial Activity and Computational Insights

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 141772 - 141772

Опубликована: Фев. 1, 2025

Язык: Английский

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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, Год журнала: 2025, Номер unknown, С. 141879 - 141879

Опубликована: Фев. 1, 2025

Язык: Английский

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Design and synthesis of new 1,3,4-thiadiazoles as antimicrobial and antibiofilm agents

Zeitschrift für Naturforschung C, Год журнала: 2025, Номер unknown

Опубликована: Фев. 28, 2025

Abstract This study assessed the in vitro antibacterial and antibiofilm properties of new 1,3,4-thiadiazole derivatives. 1 H NMR 13 C analyses were employed to confirm structure synthesized compounds, characterization is followed by assessments their efficacy against Bacillus subtilis NRRL B478, Staphylococcus aureus ATCC 29213, Escherichia coli 25922, Pseudomonas aeruginosa 27853, as well for antifungal activity Candida albicans 90028 krusei 6258, using broth microdilution method. Notably, among tested compound 4a exhibited highest antimicrobial activity, with a minimal inhibitory concentration 125 μg/mL P. 27853 significant achieving 94 %, 98 % 100 biofilm inhibition at 250, 500 1,000 μg/mL, respectively. Besides, 4h achieved 81 89 S. 29213 respectively, displayed potent this bacterium. Finally, theoretical ADME compounds - analyzed calculations. has consolidated base development agents advanced our understanding potential mode action biofilm-associated infections.

Язык: Английский

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Design, Characterization, Antimicrobial Activity, and In Silico Studies of Theinothiazoloquinazoline Derivatives Bearing Thiazinone, Tetrazole, and Triazole Moieties

ACS Omega, Год журнала: 2025, Номер 10(9), С. 9703 - 9717

Опубликована: Фев. 28, 2025

The pressing demand for novel antibiotics to counter drug-resistant bacteria, such as methicillin-resistant Staphylococcus aureus (MRSA), underscores the serious public health threat posed by antibiotic resistance. To address this issue, quinazoline-4-one derivatives were developed, synthesized, and evaluated in vitro against a range of pathogens, including fungi like Aspergillus fumigatus (RCMB 002008), Gram-negative bacteria Escherichia coli (ATCC 25922), Gram-positive 25923) MRSA (USA300). Notably, thieno-thiazolo-quinazoline compounds 4 5 demonstrated strong ability inhibit disrupt USA300 biofilm formation across all tested concentrations. Furthermore, an vivo skin infection model, these effectively reduced bacterial counts compared both vehicle-treated untreated control groups. enhance understanding provide deeper insights, ADMET docking simulations also conducted.

Язык: Английский

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Thiazolopyrimidine, a privileged scaffold: Recent updates on synthetic and pharmacological perspective in drug discovery

Archiv der Pharmazie, Год журнала: 2025, Номер 358(3)

Опубликована: Март 1, 2025

Abstract Heterocyclic compounds are emerging as a privileged scaffold with plethora of biological activities. In recent years, interest in thiazolopyrimidine chemistry has significantly increased due to its diverse pharmacological activities, such anticancer, antimicrobial, analgesic, antioxidant, anti‐inflammatory, and so on. It provides various opportunities for structural modifications. The key intermediate the synthesis fused heterocycles medicinal importance. By considering role this scaffold, researchers have designed different synthetic protocols derivatives. present review, several advancements methodology derivatives substitutions been discussed along activity, which insights into protocol on core moiety rational drug design discovery.

Язык: Английский

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Non-covalent interactions, reactivity analysis, electronic transition, NLO by quantum computational approach, molecular docking, and molecular dynamics studies of 2-Hydroxy-4-hydrazinopyrimidine as an anticancer agent

Journal of Molecular Structure, Год журнала: 2025, Номер 1337, С. 142234 - 142234

Опубликована: Апрель 8, 2025

Язык: Английский

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Novel pyridine-thiazole hybrid: synthesis, structural characterisation and adme predictions

European Journal of Life Sciences, Год журнала: 2025, Номер 4(1), С. 15 - 23

Опубликована: Апрель 30, 2025

In this study, novel 4-(4-chlorophenyl)-N-phenyl-3-(pyridin-4-yl)thiazol-2(3H)-imine derivative (2) has been synthesized and the structure of compound investigated by spectral analysis methods. By 1H-NMR 13C-NMR analysis, it was determined that obtained purely its elucidated. Further characterization 2D-NMR used to confirm ring closure thiazole positions substituents linked carbon atoms. silico studies have completed via SwissADME pkCSM pharmacokinetics software programs. The predicted 2 could cross blood-brain barrier (BBB) also enter gastrointestinal system. indicated no hepatotoxicity shows skin irritation.

Язык: Английский

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Absorption of Free Radicals of New S-Derivatives (1,2,4-Triazole-3(2H)-yl)methyl)thiopyrimidines

Опубликована: Ноя. 14, 2024

Язык: Английский

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Non-Covalent Interactions, Reactivity Analysis, Electronic Transition, Nlo by Quantum Computational Approach, and Molecular Docking Studies Of 2-Hydroxy-4-Hydrazinopyrimidine

Опубликована: Янв. 1, 2024

Язык: Английский

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