Synthesis, characterization, crystal structure, DFT, HSA, ADMET prediction and antibacterial activity of thiohydantoin analogues

Journal of Molecular Structure, Год журнала: 2024, Номер 1310, С. 138324 - 138324

Опубликована: Апрель 12, 2024

Язык: Английский

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A Review of Click Chemistry in the Synthesis of Organophosphorus Triazoles and Their Biological Activities

European Journal of Medicinal Chemistry, Год журнала: 2025, Номер 286, С. 117270 - 117270

Опубликована: Янв. 13, 2025

Organophosphorus compounds, characterized by the incorporation of phosphorus into organic molecules, play a critical role in various fields such as medicine, agriculture, and industry. Their unique electronic properties versatility make them essential developing therapeutic agents, pesticides, materials. One prominent class organophosphorus compounds is heterocycles, which combine benefits both cyclic structures. Triazoles, nitrogen-containing heterocyclic are particularly notable for their broad biological activities, including anticancer, antiviral, antibacterial, antioxidant effects. Traditional methods synthesizing triazoles often encounter challenges low yields non-selective products, whereas click chemistry provides more efficient reliable alternative. The copper-catalyzed azide-alkyne [3 + 2] cycloaddition, cornerstone chemistry, allows rapid selective formation under mild conditions. When functionalized with groups, not only retain but enhance improving potency, selectivity, stability. This review covers synthesis organophosphorus-functionalized via explores molecular structure, coordination these compounds. behavior interactions derivatives metal ions also addressed, significantly influence chemical reactivity, stability, bioactivity.

Язык: Английский

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Therapeutic potential of chalcone-1,2,3-triazole hybrids as anti-tumour agents: a systematic review and SAR studies

Future Medicinal Chemistry, Год журнала: 2025, Номер 17(4), С. 449 - 465

Опубликована: Янв. 31, 2025

The study of chalcone-1,2,3-triazole hybrids for anticancer activity is quite a recent area focus, primarily because the increasing demand developing new drugs to treat cancer. chalcones and 1,2,3-triazole rings in hybrid compounds has recently emerged as promising strategy novel agents. ring, known its stability hydrogen bonding capabilities, enhances target binding affinity these hybrids. Chalcones possess an α,β-unsaturated carbonyl system crucial their synergistic effect two moieties results with potent properties. This review explores structure-activity relationship studies which revealed that electronic lipophilic properties substituents on phenyl significantly influence activity. Electron-donating electron-withdrawing groups can affect cellular uptake engagement. Incorporating various into ring improve selectivity potency against specific cancer cell lines. These often exert effects through apoptosis cycle disruption. Recent research indicates chalcone hold therapeutic promise Further optimization SAR in-depth mechanistic investigations could lead development highly selective agents minimal toxicity.

Язык: Английский

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Design, Hemisynthesis, Characterization, Molecular Docking, and Dynamics Evaluation of Novel Totarol‐1,2,3‐Triazole Derivatives as Leishmaniasis and Toxoplasmosis Agents

Chemical Biology & Drug Design, Год журнала: 2025, Номер 105(2)

Опубликована: Фев. 1, 2025

ABSTRACT Tropical parasitic diseases like leishmaniasis pose significant public health challenges, impacting millions of individuals globally. Current drug treatments for these have notable drawbacks and side effects, underscoring the pressing need new medications with improved selectivity reduced toxicity. Through structural modifications both natural synthetic compounds using click chemistry, researchers been able to produce derivatives showing promising activity against parasites. In this study, 21 novel 1,2,3‐triazole analogues totarol were synthesized O ‐propargylated substituted arylazide. These characterized through various analytical techniques, including 1 H NMR, 13 C HRMS. An x‐ray crystallographic study 4 6 was carried out fully establish structure newly prepared derivatives. All then screened in vitro their antileishmanial activities Leishmania major promastigotes, amastigotes, Toxoplasma gondii tachyzoites Out tested analogues, six ( 7c, 8b–e , 9 g ) displayed L. amastigotes IC 50 17.3, 14.2, 13.1 18.2 13.2 17.3 μg mL −1 respectively, while only 8e gave promastigotes 11.7 respectively. Additionally, presence a nitro group correlated enhanced activity. Moreover, molecular docking conducted, focusing on most active compound, elucidate its putative binding pattern at site selected leishmanial trypanothione reductase target.

Язык: Английский

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Design, synthesis and molecular docking study of novel quinoline–triazole molecular hybrids as anticancer agents

Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 140072 - 140072

Опубликована: Сен. 1, 2024

Язык: Английский

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Synthesis and antibacterial evaluation of quinoline–sulfonamide hybrid compounds: a promising strategy against bacterial resistance

RSC Advances, Год журнала: 2025, Номер 15(3), С. 1680 - 1689

Опубликована: Янв. 1, 2025

Antibiotic-resistant bacteria are a serious global health threat, making infections harder to treat and increasing medical costs mortality rates. To combat resistant bacterial strains, series of compounds (QS1-12) were synthesized with an excellent yield 85-92%. Initial assessments these analogues as potential antibacterial agents conducted through preliminary screening against panel diverse strains. The results identified compound QS-3 the most effective candidate, exhibiting exceptional inhibitory activity P. aeruginosa minimum concentration (MIC) 64 μg mL-1. Furthermore, demonstrated favorable synergistic effect when combined ciprofloxacin. Notably, displayed minimal cytotoxicity, inducing less than 5% lysis red blood cells (RBCs). Significantly, exhibited enhanced activity, particularly antibiotic-resistant strains AA202 AA290. In silico predictions physicochemical properties underscored drug-like qualities designed compounds. Additionally, molecular docking poses, ligPlot images, binding affinity -8.0 kcal mol-1 further reinforced their promising agents. Briefly, reported QS3 may be future broad-range agent.

Язык: Английский

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Vicinal diphosphorylation of enaminones with diaryl phosphine oxides via AlCl3-mediated C N bond cleavage

Tetrahedron Letters, Год журнала: 2025, Номер 158, С. 155472 - 155472

Опубликована: Фев. 20, 2025

Язык: Английский

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Mitigating Antimicrobial Resistance through Strategic Design of Multimodal Antibacterial Agents Based on 1,2,3-Triazole with Click Chemistry

ACS Bio & Med Chem Au, Год журнала: 2025, Номер unknown

Опубликована: Март 16, 2025

Язык: Английский

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Anti‐Inflammatory and Anticancer Activities of New Monocyclic Indolo β‐Lactam Hybrids

ChemistrySelect, Год журнала: 2025, Номер 10(14)

Опубликована: Апрель 1, 2025

Abstract The diastereoselective synthesis of N ‐protected indolo β ‐lactam hybrids 5a‐n by a classic [2 + 2] Staudinger reaction and the study their anti‐inflammatory anticancer activities are reported in this paper. structures these new compounds were confirmed based on IR, 1 H NMR, 13 C NMR spectral data, elemental analysis. diastereoselectivity ( cis stereoisomer) novel was NMR. in‐vitro activity investigated for synthesized compounds. Compounds 5b , 5d 5m 5n showed good activities. Compound with an ratio >53.70 most active one compared to dexamethasone 37.78 as reference. molecular docking studies revealed that displayed best score among compounds, indicating potentially stronger more stable binding iNOS enzyme's site. Therefore, it can be regarded potential candidate purposes. In studies, imines 4b 4c exhibited against A549 (lung), AGS (gastric), MDA‐MB‐468 (breast) cancer cell lines. Imine (IC 50 14.17, 10.95, 12.49 µM), than reference, Cisplatin 20.76, 14.95, 20.97 µM) toward lines respectively. Indolo ‐lactams, 5h 5l line. Both allyl group had less toxic effect having benzyl group.

Язык: Английский

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Investigation of novel Tetrahydroisoquinoline derivatives as potent anti-lung cancer agents: In vitro and In silico studies

Journal of Molecular Structure, Год журнала: 2025, Номер unknown, С. 142574 - 142574

Опубликована: Май 1, 2025

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