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Cancer is deemed to be one of the most severe diseases, which is accountable for the elevated mortality rate after cardiovascular diseases. Despite the huge numbers of drugs that were approved by the USFDA to combat the prevalence of cancer, the resistance of the diverse cancer types to the current medications as well as their high toxicity becomes an obstacle in cancer therapy. Thus, the developing of new medications with improved selectivity and efficiency to cure various types of cancer disease is still an imperative goal. Kinases are phosphorylating enzymes that catalyze the transfer of phosphate from ATP to tyrosine, serine and threonine residues of proteins, which leads to the activation of varied signaling pathways that regulate various cellular functions such as differentiation, proliferation, migration and angiogenesis. Abnormal phosphorylation leads to various diseases such as cancer, overexpression of kinases was frequently observed in different cancerous tissues. Thus, the suppression of the kinase activity has stood out as a strategic pathway for cancer therapy. Otherwise, indole core has displayed as a privileged scaffold with promising anticancer properties and multi-kinase suppression effect. This review presents various indole-based anticancer agents as kinase inhibitors in the recent decade. In addition, the various interactions of indole derivatives within the active pocket of different kinases have been highlighted. This review article comprises research reports from 2014 until the present.

In the current study, the physicochemical properties and biological activities of gold nanoparticles (AuNP) synthesized in small sizes by Punica granatum using the green synthesis method and the chemical method were compared. UV–vis peak of chemically and biologically synthesized AuNPs was confirmed at 540  nm and 535  nm, respectively. By FT-IR analysis, it was revealed that there were active biomolecules in Punica granatum extract for the synthesis of green AuNPs. According to XRD results, broad spectra were obtained. The crystalline nature of Green AuNP was demonstrated. Using SEM and DLS, it was observed that green AuNP had dimensions between 4–6 nm and chemical AuNP had dimensions between 6–12 nm. Punica granatum-based AuNPs were more effective in the MDA-MB-231 breast cancer cell line than AuNPs by chemical method. It has also been revealed that green AuNPs are much more effective than chemical AuNPs against L. infantum parasites. As a result, Punica granatum-based green AuNPs have been proven to be functionally more efficient and effective than chemically prepared AuNPs. Our study will encourage researchers to increase the synthesis of green NPs for medical use.

This review article provides a detailed summary of current advances in the field of heterogeneous catalysis using silver nanoparticles. The applications of Ag nanoparticles have received a lot of attention over the past few years. The simple synthetic protocols and their green chemistry approach have raised the popularity of novel nanocatalysts. Moreover, the efforts of various researchers to make suitable support for catalysts (carbon azides, mesoporous Ag/mCTFs, reduced graphene oxides, NHC polymers, carbon nanofibers, knitting aryl network polymers, etc.) have introduced the flexibility of the nanoparticles. Their applications have been reported in a varied number of reactions, being reduction, epoxidation, cyclization of alkynes, N-alkylation, CO₂ incorporation, photochemical reactions, Diels–Alder cycloaddition, and Suzuki–Miyaura cross-coupling used in production of several physiologically and therapeutically significant compounds. This review provides the relevant information from the research through the past few years, required for the advancements and further research on the catalytic ability of silver nanoparticles.

Brookite TiO₂ is a metastable crystalline phase, which is difficult to prepare manually. In this study, brookite TiO₂ with controllable morphology was synthesized by a simple hydrothermal method. The prepared brookite TiO₂ was a complete rice-like granular particle with a smooth surface and sharp edges at the tip of both ends. And the diameter of an individual brookite TiO₂ was approximately 200 nm. Then, to improve the photocatalytic degradation performance of brookite TiO₂, we prepared Bi₂O₃/brookite TiO₂ nanocomposites. After Bi₂O₃ composite, the crystalline phase of brookite TiO₂ did not change, and still maintained high purity and crystallinity. The Bi₂O₃ nanoparticles were dispersed on the surface of brookite TiO₂, forming heterogeneous structures in close contact. The Bi₂O₃/brookite TiO₂ nanocomposite exhibited a significantly higher degradation rate of ofloxacin (20 mg L⁻¹) under visible light (300 W Xenon lamp, λ ≥ 400 nm) compared to pure brookite TiO₂. The photocatalytic activity of 5 mol% Bi₂O₃/brookite TiO₂ was the best, the degradation rate of OFX reached 90.7%. The enhancement of photocatalytic activity of Bi₂O₃/brookite TiO₂ nanocomposites was attributed to the formation of Bi₂O₃/brookite TiO₂ heterojunction, which accelerated the photogenerated charge-hole separation. This study provided theoretical support for efficient photocatalytic degradation of pollutants.

The extensive use of synthetic dyes in a variety of sectors, including textiles, leather, food, and paints are resulted in substantial environmental issues due to their persistence and toxicity in water bodies. Moreover, about twenty to forty gallons of water is used for two pounds of fabric in conventional textile industries around the globe. Hence, it is vital to develop effective and fast catalytic dye removal methods or devices. Citrullus lanatus rind is primarily researched for its effective removal of dye from aqueous solution. The ZnS nanocrystals are well known for its photocatalytic property to remove dyes. In this research, ZnS extracted from the Citrullus lanatus rind was used for investigating the removal of Remazol Black dye. The dye is said to increase heart rate and cause eye problems in humans. The ZnS is extracted using green synthesis and the work focuses on the goal of contributing to long-term and successful water treatment solutions. The generated ZnS nanocrystals were validated using UV–vis spectroscopy, indicating the successful formation of nanoparticles. The presence of polyphenolic groups responsible for reducing metal sulfide nanoparticles was verified using FTIR spectroscopy. Transmission electron microscopy (TEM) research indicated that the produced ZnS nanocrystals had a morphology with a mean size of roughly 6 nm. The impact of nanocrystals in removing Remazol Black dye was examined, with a phenomenal clearance efficiency of 99.8% achieved in 6 min. The rapid and successful dye decomposition was attributable to the chemisorption process, demonstrating ZnS honey-hump-like nanocrystal potential as useful catalysts in ecological cleanup purposes.

Phosphorus and arsenic play pivotal roles in semiconductor and material science due to their versatile applications. We have employed Gaussian 16 software to optimize 20 initial phosphorus (P₄) and arsenic (As₄) cluster geometries, as well as 32 As₂P₂ cluster geometries, utilizing B3LYP and MP2 methods with the 6-311++G(3d2f,3p2d) basis set. The geometries were rigorously validated through frequency calculations, followed by energy calculations using B3LYP/aug-cc-pVQZ and MP2/aug-cc-pVQZ. We thoroughly analyzed and justified the observed disparities between DFT and MP2 results. Notably, a compelling linear relationship was observed in the energy gap between the most stable and the second most stable geometries from P₄ to As₄ in both MP2 and B3LYP calculations, with MP2 results aligning closely with additional CCSD(full) calculations. Additionally, our investigation unveiled two enantiomeric geometries of As₄, specifically the semirectangular shape, with slight energy variations reminiscent of parity violation observed in amino acids. These findings significantly enhance our comprehension of pnictogen cluster stability, offering insights into the semiconductor and material science.

Although COVID-19 is no longer classified as a global emergency, the emergence of SARS-CoV-2 variants highlights the urgent need for antiviral drug discovery. This study identifies potent inhibitors of the SARS-CoV-2 main protease, supporting future preparedness and advancing antiviral strategies. Using experimental drugs from the ZINC and ChEMBL libraries, a systematic workflow combining SwissSimilarity-based screening, molecular docking, molecular dynamics (MD) simulations, and density functional theory (DFT) calculations was employed for robust candidate assessment. Five potential inhibitors, sharing a 4-(2-pyrimidin-4-yl)-morpholine motif, were identified. Among them, Apilimod, known for its immunomodulatory properties, showed promising efficacy against viral replication in prior studies. Detailed interaction dynamics were analyzed through 2.5 microseconds of MD simulations (500 ns per complex), revealing critical insights into the stability, binding modes, and conformational dynamics of the drug-protein complexes. MM/PBSA binding free energy calculations further demonstrated Apilimod’s superior binding affinity compared to other candidates. These findings highlight the therapeutic potential of Apilimod and its structural analogs as promising SARS-CoV-2 antivirals. By leveraging advanced computational techniques, this study provides valuable insights for combating COVID-19 and addressing future viral threats.

Diabetes is a prevalent chronic metabolic disorder that affects the lives and health of millions of individuals annually. α-amylase, a key digestive enzyme, plays a critical role in carbohydrate digestion. Inhibition of α-amylase activity can effectively slow the digestion of carbohydrates, thereby aiding in the maintenance of stable blood glucose levels. Consequently, the identification and development of potent α-amylase inhibitors have become a significant research focus in diabetes management. This study employed a modeling approach based on chemical descriptors and machine learning techniques to systematically explore the relationship between the chemical structures of 32 pyridone derivatives and their α-amylase inhibitory activity. A robust and predictive quantitative structure-activity relationship (QSAR) model was developed through optimization with the Sparrow algorithm, Monte carlo domain applicability evaluation, and Y-randomization testing. Utilizing this model in conjunction with data from the ZINC15 database, 23 potential compounds exhibiting favorable activity were designed. Further evaluation through SwissADME performance predictions identified three compounds with high inhibitory potential. Molecular docking studies provided insights into the potential binding modes and mechanisms of action of these compounds. The results of this study offer valuable theoretical support for the development of pyridone derivatives as potential therapeutic agents for diabetes and provide novel insights for the discovery of α-amylase inhibitors.

Reductive amination plays a crucial role in synthetic chemistry due to its widespread applications in pharmaceuticals, agrochemicals, specialty chemicals, and the general synthesis of amines. In the context of sustainable processes, our study harnessed concentrated solar radiation (CSR) as a renewable energy source to develop an energy-efficient reductive amination of aromatic aldehydes using sodium triacetoxyborohydride to synthesize 1,4-disubstituted piperazines. A range of piperazines, including pharmaceutical compounds such as Cinnarizine, Flunarizine, Clocinizine, and Teneligliptin intermediate, were synthesized on a gram scale. This method produced faster reactions (10–25 minutes), higher yields (78–94%), and a significant reduction in energy consumption (85–95%). Melting point, FT-IR, and ¹H NMR were used to characterize all produced compounds.