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[This retracts the article DOI: 10.1039/D0RA03086D.].
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[This retracts the article DOI: 10.1039/D2RA01797K.].
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Oxadiazoles an important heterocyclic scaffold of medicinal importance in the field of drug discovery. In the study, a library of oxadiazole based compounds was selected for screening against STAT-3 as anti-cancer target. STAT3 is a potential target of interest in cancer therapy. A total of 544 screened library of compounds was subjected to molecular docking against STAT-3 (6NJS and 6NQU). The compounds with good dock score and binding interations were further subjected to in-silico ADME analysis followed by toxicity estimation. A total of 141 hits were selected against 6NJS and 50 hits against 6NQU and further screened for kinetic properties and drug likeliness. The compounds were screened on the basis of physico-chemical properties, solubility, gastrointestinal absorption, BBB permeability, synthetic accessibility, Lipinski and other violations. Best compounds obtained after ADME analysis were further subjected for toxicity analysis. Carcinogenecity, mutagenicity, Ames and other important parameters were considered for toxicity based screening. The best leads thus obtained (compound 114 and 40) were further subjected to molecular dynamics against the respective target proteins. MD simulations were run to access the stability of C-114 and C-40 along with the dynamic behaviour of both complexes for about 100 ns and shows good stability with the proteins.
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Antibiotic contamination has become a severe issue and a dangerous concern to the environment because of large release of antibiotic effluent into terrestrial and aquatic ecosystems. To try and solve these issues, a plethora of research on antibiotic withdrawal has been carried out. Recently photocatalysis has received tremendous attention due to its ability to remove antibiotics from aqueous solutions in a cost-effective and environmentally friendly manner with few drawbacks compared to traditional photocatalysts. Considerable attention has been focused on developing advanced visible light-driven photocatalysts in order to address these problems. This review provides an overview of recent developments in the field of photocatalytic degradation of antibiotics, including the doping of metals and non-metals into ultraviolet light-driven photocatalysts, the formation of new semiconductor photocatalysts, the advancement of heterojunction photocatalysts, and the building of surface plasmon resonance-enhanced photocatalytic systems.
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The decatungstate anion (W10O324-) appears to exhibit especially interesting properties as a photocatalyst. Because of its unique photocatalytic properties, it is now recognised as a promising tool in organic chemistry. This study examines recent advances in decatungstate chemistry, primarily concerned with synthetic and, to some degree, mechanistic challenges. In this short review we have selected to give a number of illustrative examples that demonstrate the various applications of decatungstate in the hydrogen atom transfer (HAT) process.
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[This corrects the article DOI: 10.1039/D3RA01364B.].
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Photocatalysis has proven to be an effective approach for the production of reactive intermediates under moderate reaction conditions. The possibility for the green synthesis of high-value compounds using the synergy of photocatalysis and biocatalysis, benefiting from the selectivity of enzymes and the reactivity of photocatalysts, has drawn growing interest. Mechanistic investigations, substrate analyses, and photobiocatalytic chemical transformations will all be incorporated in this review. We seek to shed light on upcoming synthetic opportunities in the field by precisely describing mechanistically unique techniques in photobiocatalytic chemistry.
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An efficient visible light mediated, eosin Y catalyzed direct C-H oxidative amination of benzoxazoles with secondary amines has been developed, which providing a straightforward, green, and environmentally benign access to a wide variety of substituted benzoxazole-2-amines under mild reaction conditions. The biological studies such as drug-likeness and molecular docking are also carried out on the molecule.
Assuntos
Aminas , Benzoxazóis , Aminação , Simulação de Acoplamento Molecular , Catálise , Estrutura Molecular , Metais , LuzRESUMO
The field of photoredox catalysis has been transformed by the use of organic photocatalysts, which give access to re-activities that were previously only possible with transition-metal photocatalysts. Recent advancements in the use of an acridinium photocatalyst in organic synthesis are covered in this review. Both the late-stage functionalization of biorelevant molecules and the activation of inert chemical bonds are explored, with an emphasis on their mechanistic features.
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A visible-light-mediated method for the construction of N-monoalkylated products from easily available benzamides and benzyl alcohol in the presence of eosin Y has been developed. The reaction proceeded smoothly, for a wide range of derivatives of benzamides and benzyl alcohols, to give the desired products in good to excellent yields. Biological studies, such as those on drug-likeness and molecular docking, are carried out on the molecules.
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Photoredox catalysis has been explored for chemical reactions by irradiation of photoactive catalysts with visible light, under mild and environmentally benign conditions. Furthermore, this methodology permits the activation of abundant chemicals into valuable products through novel mechanisms that are otherwise inaccessible. In this context, MoS2 has drawn attention due to its excellent solar spectral response and its notable electrical, optical, mechanical and magnetic properties. MoS2 has a number of characteristic properties like tunable band gap, enhanced absorption of visible light, a layered structure, efficient photon electron conversion, good photostability, non-toxic nature and quantum confinement effects that make it an ideal photocatalyst and co-catalyst for chemical transformations. Recently, MoS2 has gained synthetic utility in chemical transformations. In this review, we will discuss MoS2 properties, structure, synthesis techniques, and photochemistry along with modifications of MoS2 to enhance its photocatalytic activity with a focus on its applications and future challenges.
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[This retracts the article DOI: 10.1039/C7RA05444K.].
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Graphitic carbon nitride (g-C3N4) has emerged as a new research hotspot, attracting broad interdisciplinary attention in the form of metal-free and visible-light-responsive photocatalysts in the field of solar energy conversion and environmental remediation. These photocatalysts have evolved as attractive candidates due to their non-toxicity, chemical stability, efficient light absorption capacity in the visible and near-infrared regions, and adaptability as a platform for the fabrication of hybrid materials. This review mainly describes the latest advances in g-C3N4 photocatalysts for chemical transformations. In addition, the typical applications of g-C3N4-based photocatalysts involving organic transformation reactions are discussed (synthesis of heterocycles, hydrosulfonylation, hydration, oxygenation, arylation, coupling reactions, etc.).
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1,3-Dicyano-2,4,5,6-tetrakis(diphenylamino)-benzene (4DPAIPN), with diphenylamino as an electron donor and dicyanobenzene as an electron acceptor, is a typical donor-acceptor fluorophore. Due to its excellent redox window, good chemical stability and broad applicability, this fluorophore has emerged as a powerful and attractive metal-free organophotocatalyst. This review has highlighted the design, synthesis and application of 4DPAIPN photoredox catalysts as well as their exceptionally broad range of redox properties. This flourishing class of organophotocatalysts is expected to contribute to a great extent toward the advancement of synthetic methodologies and its adaptation to a large scale inventive implementation due to their flexibility.
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The visible light harnessing ability of Rose Bengal, an organic dye, has been extensively employed in organic chemistry over the last few years. In visible light mediated reactions, this photoredox catalyst operates through multiple pathways and has the ability to provide distinctly different and valuable results. The most significant of these results are bond creation, bond functionalization, particularly for C-H and C-heteroatom bonds, and cross couplings. It is crucial to study these cases whenever these bond formations and couplings lead to the formation of heterocyclic compounds or their functionalization. The diverse biological activity and medicinal applications of heterocyclic compounds is an extensively explored area. This review primarily attempts to demonstrate the synthetic potential of Rose Bengal for synthesis and site selective functionalization of nitrogen containing heterocycles.
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The sulphur centered radicals, produced from various organic compounds, in high efficiency by single-electron-transfer (SET) oxidation. These radicals are highly reactive intermediates having various applications in the construction of organosulphur compounds in the field of synthetic organic chemistry. These S-centred radical-mediated organic transformations have been achieved using photoredox catalysts, including organic dyes and transition metal catalysts, as well as in the absence of any catalyst. Compared with previous methods, photoredox catalysis is inexpensive and features the advantages of being environmentally benign, highly efficient and easy to use. This review focuses on recent developments in the photocatalyzed carbon-sulphur bond formation.