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A novel class of 3‐(4‐chlorophenyl)‐2‐(substituted)quinazolin‐4(3H)‐one derivatives were synthesized, and the structure of synthesized compounds was characterized by IR, 1H NMR, and mass spectroscopy. The newly synthesized compounds (4a–g and 6a–g) were tested for their in vitro cyclooxygenase (COX) inhibition activity. The compounds have inhibitory profile against both COX‐1 and COX‐2, and some of the compounds are found to be selective against COX‐2. The compound 6g showed distinct inhibitory activity on COXs. The synthesized compounds were evaluated for their potential anti‐inflammatory activity as inhibitors of the proinflammatory cytokines IL‐6. Compounds 4d–g showed the highest level of inhibition among all the tested compounds. Thus, our data suggested that these compounds may represent a new class of potent anti‐inflammatory agents. [ABSTRACT FROM AUTHOR]

Polyaniline-few-layer molybdenum disulfide nanocomposite (PANI-MoS2) has been synthesized by in situ polymerization of aniline over MoS2 using HCl as the dopant. X-ray crystallographic studies show the characteristic peaks of few-layered MoS2 in the PANI matrix. The changes in Raman and UV-Vis spectra have proved that there are definite interactions between PANI and few-layer MoS2.PANI-MoS2 nanocomposite as an electrode material for supercapacitor exhibits a maximum specific capacitance of 687 Fg−1 at a scan rate of 5 mVs−1 using cyclic voltammetry (CV) and a Csp of 612 Fg−1 at a current density of 0.2 Ag−1 using chronopotentiometry (CP). Further, the material also exhibits a high energy density of 128 Wh kg−1with a maximum power density of 9.8 kW kg−1 and a tremendous cyclic stability with 93% capacitance retention after 2000 cycles. These superior electrochemical results over bare PANI and MoS2 showed the PANI-MoS2 nanocomposites to be a capable electrode material for energy storage systems. [ABSTRACT FROM AUTHOR]

The reduction of carbon dioxide (CO 2 ) and nitrogen (N 2 ) to value-added products is a substantial area of research in the fields of sustainable chemistry and renewable energy that aims at reducing greenhouse gas emissions and the production of alternative fuels and chemicals. The current work deals with the synthesis of pyrochlore-type europium stannate (Eu 2 Sn 2 O 7 : EuSnO), tungsten disulfide (WS 2 :WS), and novel EuSnO/WS heterostructure by a simple and facile co-precipitation-aided hydrothermal method. Using different methods, the morphological and structural analyses of the prepared samples were characterized. It was confirmed that a heterostructure was formed between the cubic EuSnO and the layered WS. Synthesized materials were used for photocatalytic CO 2 and N 2 reduction under UV and visible light. The amount of CO and CH 4 evolved due to CO 2 reduction is high in EuSnO/WS (CO = 104, CH 4  = 64 μmol h -1 g -1 ) compared to pure EuSnO (CO = 36, CH 4  = 70 μmol h -1 g -1 ) and WS (CO = 22, CH 4  = 1.8 μmol h -1 g -1 ) under visible light. The same trend was observed even in the N 2 fixation reaction under visible light, and the amount of NH 4 + produced was found to be 13, 26, and 41 μmol h -1 g -1 in the presence of WS, EuSnO and EuSnO/WS, respectively. Enhanced light-driven activity towards CO 2 and N 2 reduction reactions in EuSnO/WS is due to the efficient charge separation through the formation of type-II heterostructure, which is in part associated with photocurrent response, photoluminescence, and electrochemical impedence spectroscopic (EIS) results. The EuSnO/WS heterostructure's exceptional stability and reusability may pique the attention of pyrochlore-based composite materials in photocatalytic energy and environmental applications., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Inc. All rights reserved.)

The design and development of novel antimicrobial agents are highly desired to combat the emergence of medication resistance against microorganisms that cause infections. A series of new pyrimidine-linked thiazolidinedione derivatives (5a-j) were synthesized, characterized, and their antimicrobial properties assessed in the current investigation. Here, novel pyrimidine-linked thiazolidinedione compounds were designed using the molecular hybridization approach. Elemental and spectral techniques were used to determine the structures of the synthesized hybrids. The majority of compounds showed encouraging antibacterial properties. Among the active compounds, 5g, 5i, and 5j showed 1.85, 1.15, and 1.38 times the activity of streptomycin against S. aureus, respectively, with MIC values of 6.4, 10.3, and 8.6 µM. With MIC values of 10.8, 21.9, and 15.4 µM, respectively, the compounds 5g, 5i, and 5j showed 2.14, 1.05, and 1.50 times the activity of linezolid against the methicillin-resistant S. aureus (MRSA) strain. Furthermore, when compared to the reference medications, compounds 5g, 5i, and 5j demonstrated broad-range antimicrobial efficacy against all tested strains of bacteria and fungus. Out of all the compounds that were investigated, compounds 5g, 5i, and 5j showed noteworthy anti-tubercular activity. 5g is the most effective, 1.59 times more effective than reference drug isoniazid. To anticipate the binding manner, the synthesized potent compounds were subjected to molecular docking into the active binding site of MRSA and the mycobacterial membrane protein large 3 (MmpL3) protein. The compounds 5g, 5i, and 5j may eventually serve as lead compounds in the search for antimicrobial and anti-TB therapeutic agents., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Ltd. All rights reserved.)

A cost effective and environmentally benign ultrasonic method has been developed for the synthesis of InVO 4 (InV), In 2 S 3 (InS) and the InVO 4 /In 2 S 3 heterostructure (InV/InS). All the designed materials were evaluated for their structural, morphological, spectroscopic, and electrochemical characterizations. Materials were examined for photocatalytic, sonocatalytic, and sonophotocatalytic degradation of carbofuran (CBF) and diazinon (DZN) pesticides under visible light. InV/InS showed enhanced degradation of CBF and DZN when compared to InV and InS. Photocatalytic degradation was accelerated by ultrasonication and found to degrade 97 and 98 % of CBF and DZN in 60 and 70 min, respectively. The reaction conditions, like pH, catalyst dosage, acoustic intensity, and ultrasound power, were carefully optimized. Electron spin resonance (ESR) spectroscopy shows the generation of superoxide radical anion and hydroxyl radicals as reactive species during photoredox reaction. The CBF and DZN degradation intermediates were analyzed using liquid chromatography mass spectroscopy (LC-MS) that shows the mineralization of the CBF and DZN to CO 2 and H 2 O. The effect of Cl - , and PO 4 3- were examined towards degradation of CBF and DZN under optimal conditions in the presence of InV/InS. The degradation of CBF and DZN is decreased in presence of Cl - , CO 3 2- and NO 3 - but PO 4 3- ions does not show any effect on degradation. The bandgap and Mott-Schottky results suggest the existence of type-II heterostructure between InV and InS through the interface. The synthesis of heterostructure and degradation of pesticides utilizes ultrasonic waves, which prove their multiple applications and attract researchers towards the effective use of sonication., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 The Authors. Published by Elsevier B.V. All rights reserved.)

The in vitro anticancer efficacy of a new series of quinazoline-based thiazole derivatives was explored. Three cancer cell lines, MCF-7, HepG2, and A548, as well as the normal Vero cell lines, were tested employing the synthesized quinazoline-based thiazole compounds (4a-j). All of these compounds showed a moderate to significant cytotoxic impact that would have been noticeable and, in some cases, much more pronounced than the widely used drug erlotinib. For the MCF-7, HepG2, and A549 cell lines, respectively, the IC 50 values of compound 4i were 2.86, 5.91, and 14.79 μM while those of compound 4j were 3.09, 6.87, and 17.92 μM. For their in vitro inhibitory effects against different EGFR kinases, such as the wild-type, L858R/T790 M, and L858R/T790 M/C797S, all the synthesized compounds were tested. The IC 50 values for compound 4f against the wild-type, L858R/T790 M, and L858R/T790 M/C797S mutant EGFR kinases were 2.17, 2.81, and 3.62 nM, respectively. Investigations on the molecular docking of significant molecules indicated potential mechanisms of binding into the EGFR kinase active sites. By using in-silico simulations, compounds' putative drug-like qualities were verified. Finally, it has been shown that the newly synthesized compounds 4i and 4j are good candidates and beneficial for future design, optimization, and research to build more potent and selective EGFR kinase inhibitors with higher anticancer activity., Competing Interests: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (© 2023 The Authors.)

Because of the excessive use of fossil fuels, CO 2 emissions into the environment are increasing. An efficient method of converting CO 2 to useful carbonaceous products in the presence of light is one way to address the issues associated with energy and environmental remediation. In 2 S 3 /WS 2 heterostructure has been fabricated using the efficient hydrothermal method. The results of structural, morphological, optical, and photo/electrochemical characterization confirm the formation of a hierarchical, layered heterostructure of type-II. Enhanced photocatalytic activity is observed in InS/WS heterostructure compared to pristine In 2 S 3 and WS 2 . InS/WS heterostructure exhibit higher photocatalytic activity than pure In 2 S 3 and WS 2 . For 12 h, photocatalytic CO 2 reduction produces 213.4 and 188.6 μmol of CO and CH 4 , respectively. Furthermore, the photocatalytic ability of the synthesized materials to degrade different parabens (Methyl: MPB, Ethyl: EPB, and Benzyl: BPB) under visible radiation was evaluated. Under optimized conditions, the InS/WS heterostructure degraded 88.6, 90.4, and 95.8% of EPB, BPB, and MPB, respectively, in 90 min. The mechanism of photocatalysis was discussed in detail. MCF-7 cell viability was assessed and found to exhibit low mortality in InS/WS treated MPB aqueous solution. InS/WS heterostructure could improve the fabrication of more sulphide-based layered materials to combat environmental pollution., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier Ltd. All rights reserved.)

The current study reports on the synthesis and anticancer efficacy of novel oxadiazole derivatives (8a-f) as tubulin polymerization inhibitors. NMR, mass, and elemental studies were used to confirm the newly produced compounds. In contrast to the conventional medicine colchicine, compounds 8e and 8f demonstrated stronger sensitivity and improved IC 50 values in the range of 3.19-8.21 μM against breast MCF-7, colorectal HCT116, and liver HepG2 cancer cell lines. The target compounds were tested for enzymatic activity against the tubulin enzyme. Compounds 8e and 8f were shown to have the most effective inhibitory action among the new compounds, with IC 50 values of 7.95 and 9.81 nM, respectively. As compared to the reference drug, molecular docking investigations of the developed compounds revealed the crucial hydrogen bonding in addition to the hydrophobic interaction at the binding site, assisting in the prediction of the structural requirements for the found anticancer activity. These findings indicate that the 1,3,4-oxadizole scaffold has the potential for future research into new anticancer medicines., Competing Interests: The authors declare no conflict of interest., (© 2023 Published by Elsevier Ltd.)

Triazine-linked triazole compounds (4a-j) were designed, synthesized, and then examined for their anticonvulsant abilities. Compounds 4e, 4f, 4g, 4i, and 4j displayed significant anticonvulsant activity in both maximum electroshock seizure (MES) and pentylenetetrazole (PTZ) induced seizure during the preliminary screening. The phase II anticonvulsant activity statistics revealed that compounds 4e, 4f, 4g, 4i, and 4j demonstrated excellent activity as compared to the conventional drugs methaqualone and valproate, supporting the potential of these triazine-linked triazole analogues as novel anticonvulsant agents. To take use of the findings, computational parameters including docking analysis and drug-likeness prediction were carried out. Molecular modelling studies supported the essential pharmacophoric information that the structure activity relationship offered. The triazine-linked triazole analogues that were investigated might be viewed as helpful models for future research and derivatization., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2022 Elsevier Ltd. All rights reserved.)

Agriculture is having a major role in solving issues associated with food shortages across the globe. Carbendazim (CZM) is one of the fungicides which is commonly used in agriculture to grow crops in large quantities and fast. Monitoring CZM content is in high demand for environmental remediation. The present work deals with the synthesis of gadolinium sesquisulfide anchored Nitrogen-doped reduced graphene oxide (Gd 2 S 3 /NRGO) through a simple microwave-assisted method. X-ray diffraction and morphological studies confirm the formation of the nanocomposite. Gd 2 S 3 /NRGO showed enhanced activity both in electrochemical detection and light-driven degradation of CZM compared to Gd 2 S 3 and NRGO. Gd 2 S 3 /NRGO modified glassy carbon electrode (GCE) exhibit a wide linear range of 0.01-450 μM CZM with 0.009 μM LOD using differential pulse voltammetry (DPV). Gd 2 S 3 /NRGO@GCE showed good selectivity, stability, and recovery (98.13-99.10%) in the river water sample. In addition, Gd 2 S 3 /NRGO has been explored towards the visible-light-induced degradation of CZM. The reactions conditions were optimized to achieve maximum efficiency. 94% of CZM was degraded within 90 min in presence of Gd 2 S 3 /NRGO. Mechanism of electrochemical redox reaction and degradation of CZM in presence of Gd 2 S 3 /NRGO has been explored to the maximum extent possible. Degradation intermediates were identified using LC-MS., (Copyright © 2022 Elsevier Ltd. All rights reserved.)

A new protocol for the N-alkylation of amines with alcohols for the synthesis of tertiary amines in the presence of MnCl 2 as a catalyst, under microwave conditions, is described. The advantages of this protocol include stable reaction profiles, a wide substrate variety, excellent yields, low cost, high yields, and easy workup conditions. The anticancer efficacy of all the synthesized compounds was tested in vitro against various cancer cell lines, such as MCF-7, MDA-MB-231 (human breast), HT-29, HCT 116 (colon cancer), A549 (human lung carcinoma), and Vero cells. Among the screened compounds, 3e, 3h, and 3i demonstrated potent anticancer activity, with compound 3h surpassing the reference drug cisplatin against A549, MCF7, MDA-MB-231, and HCT116 cancer cells. The introduction of an electron-withdrawing group on the phenyl ring resulted in increased anticancer activity. The most potent compounds, 3e, 3h, and 3i, were tested against VEGFR-2, HER2, and EGFR in multikinase inhibition assays, with compounds 3h and 3i showing improved potency against the HER2 kinase. The compounds formed two H-bonds with amino acids, indicating that they had a high affinity for the target HER2 kinase (PDB ID: 3RCD), according to the docking analysis. The absorption, distribution, metabolism, excretion, and toxicity properties of the optimized analogs were also assessed in vitro, enabling the discovery of promising anticancer agents. Finally, the B3LYP level was used to measure density functional theory geometry optimization and the related quantum parameters for the active compounds., (© 2022 Deutsche Pharmazeutische Gesellschaft.)

To explore effective antituberculosis agents, a new class of imidazoles and benzimidazoles linked ethionamide analogs were designed and synthesized. The elemental analysis, 1 H NMR, 13 C NMR and mass spectral data were used to characterize all of the novel analogs. In vitro activity against Mycobacterium tuberculosis (Mtb) H37Rv was assessed for all of the target compounds. The hydroxy and nitrile moieties on the imidazole ring, as well as the hydroxy and methoxy groups on the benzimidazole ring connected to the ethionamide side chain, were shown to be advantageous. In our cell viability experiment against the Vero cell line, all of the compounds were non-cytotoxic even at 100 μM. To confirm the powerful analogs target identification, we investigated their in vitro inhibitory action on an M. tuberculosis InhA over-expressing (Mtb InhA-OE) strain, which yielded MICs nearly twice those of the Mtb H37Rv strain. Furthermore, the results of molecular docking confirmed the experimental findings. Additionally, the molecules were evaluated in silico for ADMET and drug similarity features. The experimental observation enables the newly generated ethionamide derivatives to be attractive candidates for the creation of newer and better anti-TB agents., (Copyright © 2022 Elsevier Ltd. All rights reserved.)

At present energy and environmental remediation are of highest priority for the well defined sustainability. Multifunctional materials that solve both the issues are on high demand. In the present work, a simple method has been followed to extract carbon spheres fromTamarindus indica(commonly known astamarind fruit) shelland doped with nitrogen (N-CS). Vanadium pentoxide nanoflakes were decorated aroundN-CS and the resultant is labeled as V 2 O 5 /N-CS nanocomposite. The spectroscopic, microscopic, elemental mapping and x-ray photoelectron spectroscopic characterization confirm the nitrogen doping and formation of hybrid material. N-CS, V 2 O 5 , and V 2 O 5 /N-CS nanocompositehave been evaluated for their efficiency to evolve hydrogen and for degradation of Bisphenol A (BPA) under visible light. In addition, electrocatalytic hydrogen evolution in presence of light has also been evaluated. The DRS spectrum proves the decrease in the bandgap of V 2 O 5 upon its decoration around N-CS material. In a photochemical experiment, the V 2 O 5 /N-CS nanocomposite evolved 18,600 μmolg -1 of H 2. Electrochemical hydrogen evolution has also been evaluated in presence of light and obtained the onset potential of -60mV with 52 mV dec -1 Tafel slope value. Scavenger studies indicate superoxide radicals and hydroxyl radicals are the active species responsible for the degradation of BPA. BPA degradation pathway has been predicted with the support of LC-MS results of the intermediates. All these results indicate the synthesized nanocomposite could be an efficient, stable multifunctional material for photocatalytic applications., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

A Ta 2 O 5 -anchored-piperidine-4-carboxylic acid (PPCA) nanoparticle has been synthesized and characterized. It was then used as a highly effective nanocatalyst for the synthesis of quinolin-2(1H)-one derivatives through CO bond functionalization. The special advantage of this heterogeneous solid catalyst is the reusability of the catalyst for up to five cycles without any noticeable reduction in product yields. In comparison, healthy reaction profiles, wide substrate scope, excellent yields and easy workup conditions are the notable highlights of this approach. All the compounds were tested for their anticancer activity against MCF-7 (human breast), HepG2 (human liver), HCT116 (human colorectal), and PC-3 (human prostate) cancer cell lines with the MTT assay. All the compounds were shown to have moderate to good inhibitory effects on tested cancer cell lines. Besides, compounds 5b, 5c and 5d showed good selectivity against epidermal growth factor receptor-tyrosine kinase (EGFR-TK). Molecular docking results showed that active compounds showed a good affinity towards EGFR kinase (PDB ID: 6V6O) by forming two hydrogen bonds with Cys-797 and Tyr-801. All the compounds were screened for computational ADMET and Lipinski analysis., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

Using Cu(I)-catalyzed cycloaddition of alkyne and azide reaction (CuAAC), a series of novel 1,2,3-triazole based imidazole derivatives (3a-e) have been synthesized. The synthesized molecules were characterized by spectroscopic techniques such as 1 H NMR, 13 C NMR, mass and elemental analysis. Antitubercular activity (anti-TB) against Mycobacterium tuberculosis H37Rv (Mtb) and cytotoxic activity against the mammalian Vero cell line was screened for the synthesized compounds. The compounds 3d and 3e displayed potent in vitro antitubercular activity and may serve as a lead for further optimization. Besides, the experimental findings were in line with the results of molecular docking. Also, the synthesized compounds have also been analyzed for ADME properties and the experimental finding facilitates the development of new and more potent anti-TB agents in this series in the future. Using fluorescence and UV-vis absorption spectroscopy, the binding interaction of compounds (3d and 3e) with human serum albumin (HSA) was investigated. The results showed that, as a result of HSA-compound complex, the fluorescence quenching of HSA by test compounds was a static quenching process. According to Forster's theory, energy transfer efficiency is calculated., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

A novel class of N-substituted glycosmicine derivatives was synthesized, and their anticonvulsant, antioxidant activity and interaction with bovine serum albumin (BSA) were evaluated. The synthesized compounds 4a-j were examined for anticonvulsant activity by maximal electroshock induced seizures (MESs) test and their neurotoxic effects were determined by rotorod test in mice. The structure-activity relationships (SARs) of these compounds were also investigated. Compounds 4d, 4g, 4i and 4j were found to have good protective effect from seizure. The in vitro antioxidant activity was evaluated by 2,2-diphenyl-1-picrylhydrazyl (DPPH) and superoxide radical scavenging assay. The interaction between novel N-substituted methylquinazoline-2,4(1H,3H)-dione (NMQ) and BSA was analyzed by fluorescence and ultraviolet spectroscopy at 304K under simulative physiological conditions. BSA fluorescence quenched by NMQ is discussed according to the Stern-Volmer equation. The binding constant and binding sites of NMQ with BSA were calculated. According to Forster non-radiation energy transfer theory, the binding distance (r) between NMQ and BSA was calculated., (Copyright © 2013 Elsevier B.V. All rights reserved.)

A series of piperamide derivatives (8a-j) was synthesized with various substituted piperidine and piperazine compounds. The prepared compounds were evaluated for antibacterial activity against gram-positive and gram-negative bacteria and antifungal activity by disc diffusion method. The antioxidant activity of the compounds was evaluated by DPPH and superoxide radical scavenging method and antidepressant activity using forced swim and tail suspension behavioral despair tests in mice. The compounds 8a, 8b and 8c were investigated for their monoamine oxidase A and B (MAO-A and MAO-B) inhibitory property. Some of the test compounds were active in forced swim test (FST) and tail suspension test (TST). Compounds 8a and 8b showed a significant effect, when compared to standard drug, clorgyline., (Copyright © 2012 Elsevier Ltd. All rights reserved.)