Multicomponent reactions (MCRs) yielding medicinally relevant rings: a recent update and chemical space analysis of the scaffolds

RSC Advances, Год журнала: 2025, Номер 15(2), С. 1447 - 1489

Опубликована: Янв. 1, 2025

We have reviewed the recently reported multicomponent reactions (MCRs) yielding cyclic frameworks in a single pot from simple building blocks under mild conditions. These MCRs may prove to be useful for drug discovery projects.

Язык: Английский

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Novel 1,2,4-triazole-maleamic acid derivatives: synthesis and evaluation as anticancer agents with carbonic anhydrase inhibitory activity

Journal of Molecular Structure, Год журнала: 2024, Номер 1313, С. 138680 - 138680

Опубликована: Май 19, 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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Photoinduced Ordered Growth of Copper-Doped Polyaniline Nanotubes: A Method to Improve the Catalytic Activity for C–N Coupling Reactions

ACS Applied Materials & Interfaces, Год журнала: 2024, Номер 16(29), С. 37906 - 37914

Опубликована: Июль 10, 2024

Polyaniline-supported metal nanoparticles (M@PANIs) have been widely employed as catalysts for organic reactions. Traditionally, the catalytic activities of materials can be improved by introducing functional groups onto aniline monomers, but it may enhance catalyst cost and reduce production yield material. This work reports a new strategy improving activity M@PANIs. It was found that induced visible light in presence polymeric carbon nitride copper dopant, oxidative polymerization simple occurred slowly orderly to produce copper-doped polyaniline nanotubes. The unique tubular structure protected catalytically active Cu(I) inside endowed even more sufficient contact sites with reactants so material exhibited excellent performances C-N coupling

Язык: Английский

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Recent drug design strategies and identification of key heterocyclic scaffolds for promising anticancer targets

Pharmacology & Therapeutics, Год журнала: 2023, Номер 254, С. 108579 - 108579

Опубликована: Дек. 30, 2023

Язык: Английский

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Systematic characterization of the homogeneous and heterogeneous hydrogen halide dimers

The Journal of Chemical Physics, Год журнала: 2025, Номер 162(14)

Опубликована: Апрель 8, 2025

This study systematically characterizes the four homogeneous and six heterogeneous hydrogen-bonded dimers formed by hydrogen halide pairs (HX/HY where X, Y = F, Cl, Br, I). The notation HX⋯HY indicates direction of bond from HY donor to HX acceptor. All stationary points reported for these ten dimer systems are fully optimized utilizing MP2 CCSD(T) ab initio methods in conjunction with quadruple-ζ correlation-consistent basis sets augmented diffuse functions, their nature is verified harmonic vibrational frequency computations. electronic dissociation energies (De) all global minima evaluated near complete set (CBS) limit via extrapolation schemes. These values 19.11, 8.32, 7.38, 6.22 kJ mol−1 HF, HCl, HBr, HI, respectively. For pairs, lighter consistently minimum configuration, De ranging 12.23 HCl⋯HF 7.22 HI⋯HBr CBS limit. Interestingly, not heterodimer donor/acceptor permutations correspond minima. example, HCl⋯HBr configuration identified as a local at levels theory employed this investigation, whereas in-plane barrier exchange vanishes HCl⋯HI HBr⋯HI when larger utilized. seven containing Br and/or I, structures, energetics, frequencies computed using conventional valence-only electron correlation procedures similar those obtained an expanded valence treatment that includes (n − 1)d subvalence electrons associated I.

Язык: Английский

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Stereochemical insights into functionalized triazoles: applications of NMR and quantum chemistry

Russian Chemical Reviews, Год журнала: 2025, Номер 94(4), С. RCR5160 - RCR5160

Опубликована: Апрель 1, 2025

The stereochemistry of tautomeric functionalized azoles is a challenge for theoretical research, since the correct interpretation chemical behaviour and biological activity these compounds depends on understanding factors that determine structural features relative stability their tautomers. Due to physicochemical properties, 1,2,3- 1,2,4-triazoles are most promising research objects in various fields ranging from medicine, bioorganic chemistry agrochemistry materials science. This review first in-depth analysis data structure stereochemical 1,2,3-triazoles (their carbaldehydes, carbaldehydoximes, barbiturates malononitriles), model analogues, as well related compounds, obtained by combined methods based multipulse multinuclear 1H, 13C, 15N 29Si NMR spectroscopy quantum calculations. <br> bibliography includes 320 references.

Язык: Английский

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Design, synthesis, and antitumor activity evaluation of BF3-o, m, p-phenylenediamine bridged with pyrimidine-indole BF3 adduction derivatives

Molecular Diversity, Год журнала: 2024, Номер 29(1), С. 425 - 437

Опубликована: Июль 19, 2024

Язык: Английский

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Small molecules targeting HDAC6 for cancer treatment: Current progress and novel strategies

Biomedicine & Pharmacotherapy, Год журнала: 2024, Номер 178, С. 117218 - 117218

Опубликована: Июль 30, 2024

Histone deacetylase 6 (HDAC6) plays a crucial role in the initiation and progression of various cancers, as its overexpression is linked to tumor growth, invasion, migration, survival, apoptosis, angiogenesis. Therefore, HDAC6 has emerged an attractive target for anticancer drug discovery past decade. However, development conventional inhibitors been hampered by their limited clinical efficacy, acquired resistance, inability inhibit non-enzymatic functions HDAC6. To overcome these challenges, new strategies, such dual-acting inhibitors, targeted protein degradation (TPD) technologies (including PROTACs, HyT), are essential enhance activity inhibitors. In this review, we focus on recent advances design modulators, including isoform-selective HDAC6-based dual-target degraders (PROTACs, from perspectives rational design, pharmacodynamics, pharmacokinetics, status. Finally, discuss challenges future directions cancer therapy.

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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