Phosphorus, Sulfur, and Silicon and the Related Elements最新文献

{"title":"Sodium sulfide promoted synthesis of highly substituted pyridines","authors":"Samira Darbidi (Data curation Investigation Methodology) ,&nbsp;Bagher Mohammadi (Conceptualization Investigation Methodology Project administration Writing – original draft) ,&nbsp;Ali Ramazani (Resources Supervision Validation) ,&nbsp;Oskar Kaszubowski (Data curation Formal analysis) ,&nbsp;Katarzyna Ślepokura (Data curation Formal analysis Software)","doi":"10.1080/10426507.2025.2571645","DOIUrl":"10.1080/10426507.2025.2571645","url":null,"abstract":"<div><div>This study presents a straightforward and effective method for the synthesis of 2-amino-6-alkoxy-4-arylpyridine-3,5-dicarbonitrile derivatives. These multi-substituted pyridine compounds are prepared through a convenient pseudo three-component reaction involving arylaldehydes malononitrile, alcohols, and sodium sulfide in an aqueous medium. Key benefits of this approach include its environmentally friendly nature, high product yields, rapid reaction times, cost-effectiveness, and easy accessibility of starting materials, mild reaction conditions, and a simple purification process.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 1078-1083"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469002","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Insights into adsorptions of SHMe, SMe2, and thiophene on Ni-decorated Mg4O4 nanoclusters: a quantum chemical investigation","authors":"Reza Ghiasi (Conceptualization Data curation Formal analysis Investigation Methodology Supervision Validation Writing – original draft Writing – review & editing) ,&nbsp;Nahid Shajari (Conceptualization Investigation Methodology Writing – original draft Writing – review & editing)","doi":"10.1080/10426507.2025.2558678","DOIUrl":"10.1080/10426507.2025.2558678","url":null,"abstract":"<div><div>In this work, adsorptions of SHMe, SMe₂, and thiophene molecules on the Mg₄O₄ cluster and Ni-decorated Mg₄O₄ nanoclusters was examined at the LC-ωPBE/6-311G(d,p) level of theory. Effect of Ni-decorated Mg₄O₄ nanocluster on the adsorption of these molecules was compared to Mg₄O₄ nanocluster. Energetic and thermodynamics aspects of adsorption process were illustrated. Computed adsorption energy values exposed pronounced adsorption between pollutant molecules with Ni-decorated Mg₄O₄ respect to Mg₄O₄. Also, molecular orbital analysis of the studied systems was reported. Smaller HOMO-LUMO gap and hardness values were found in the presence of Ni-decorated Mg₄O₄ nano-cluster than Mg₄O₄ nano-cluster. The interactions between two fragments was explored with energy decomposition analysis (EDA), charge decomposition analysis (CDA), and electron localization function (ELF) investigations. CDA results were adopted with our chemical insight for the reason that conferring to classical theory, the electrons of coordinate bonds are virtuously donated from ligands. Difference map of electron density and ELF of these systems were provided. The stability of the studied systems was proved by atom centered density matrix propagation (ADMP) molecular dynamics molecular dynamics analyses, where these complexes revealed small changes in their total energy.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 942-952"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469010","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cassia angustifolia leaf extract-mediated sulfur nanoparticles (SNPs) potentiate biological properties","authors":"Yogesh Biradar (Writing – original draft) ,&nbsp;Pradeep Deshmukh (Data curation) ,&nbsp;Dnyaneshwar Wankhede (Conceptualization Supervision Writing – review & editing) ,&nbsp;Shivraj Wanale (Data curation) ,&nbsp;Vitthal Makane (Data curation)","doi":"10.1080/10426507.2025.2551076","DOIUrl":"10.1080/10426507.2025.2551076","url":null,"abstract":"<div><div><em>Cassia angustifolia</em> promoted facile biosynthesis and characterization of sulfur nanoparticles (SNPs) is reported. UV-Visible spectrum exhibited a peak at 265.88 nm, confirming formation of SNPs. FT-IR spectrum of <em>Cassia angustifolia</em> leaves extract exhibited peaks at 3420, 2924, 2854, 1744, 1628, 1512, 1392, 1013 cm⁻¹ due to various functional groups which assist in SNPs formation, while that of SNPs exhibited a sharp absorption peak at 463 cm⁻¹, which is evidence for SNPs formation. The SEM, TEM and XRD analysis results confirmed the presence of spherical SNPs with a particle size of 65 nm. The IC₅₀ value is comparable to the standard 5-Fluorouracil (5-FU) in the case of MDA-MB231 (Breast cancer cell line), indicating potential as an anticancer agent. The cell viability results indicated that SNPs have a more toxic effect on cancer cells compared to normal cells. The antifungal activity was concentration-dependent. Poor antifungal property against <em>Candida albicans</em> and moderate property against <em>Aspergillus niger</em> were recorded at higher concentration (10 mg/mL). In case of antioxidant activity, good to excellent (55 to 82%), concentration-dependent values of percentage inhibition, reaching closer to those of standards with increasing concentrations, were observed. The highest value was observed at 1000 µg/mL concentration.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 915-928"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469013","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel synthesis and anticancer screening of indole substituted thiosemicarbazone against HeLa, HCT-15 and U87-MG","authors":"Salunke Kalidas Sopan (Data curation Investigation) ,&nbsp;Abhishek Srivastava (Formal analysis) ,&nbsp;Sachin Srivastava (Validation) ,&nbsp;Ram Kishore (Methodology Supervision) ,&nbsp;Nitin Srivastava (Writing – review & editing)","doi":"10.1080/10426507.2025.2571649","DOIUrl":"10.1080/10426507.2025.2571649","url":null,"abstract":"<div><div>A novel series of indole thiosemicarbazone was designed, synthesized and screened for anticancer activities against cervical (HeLa), colon (HCT-15) and glioblastoma (U87-MG) cancer cells. Among the synthesized compounds, the compound <strong>7h</strong> [(Z)-1-((1-(2-(trifluoromethoxy)benzyl)-1H-indol-3-yl)methylene)-4-tert-butyl-thiosemicarbazide] exhibited potential anticancer activities to all considered cell lines owing to its structural advantages, which were related to the electron-donating groups in the benzene rings. The compound <strong>7h</strong> possessed the highest anticancer activities toward HeLa (IC₅₀=15.4 µM), HCT-15 (IC₅₀=36.8 µM) and U87-MG (IC₅₀=10.2 µM) with high specificity and lower toxicity to the normal cell line L929 (IC₅₀=225.8 µM), which is comparable to the standard anticancer drug Cisplatin. The compound <strong>7h</strong> induced both intrinsic and extrinsic apoptosis in the cancer cells, which was confirmed by the cleavage of PARP, caspase 3 and caspase 9.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 1084-1096"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469004","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sulfamethazine-based azo dyes: synthesis, structural, electrochemical and fluorescence studies","authors":"Sneha Parameshwarappa (Formal analysis Investigation Methodology Resources Validation Visualization Writing – original draft Writing – review & editing) ,&nbsp;Keerthikumar T Chinnagiri (Formal analysis Investigation Methodology Supervision Validation Writing – original draft Writing – review & editing),&nbsp;Ramya kumari T Chinnagiri (Formal analysis Software Validation Writing – original draft) ,&nbsp;Nirupananda Swamy (Formal analysis)","doi":"10.1080/10426507.2025.2560490","DOIUrl":"10.1080/10426507.2025.2560490","url":null,"abstract":"<div><div>This research aims to synthesize, analyze, and understand the redox properties of sulfamethazine-based dyes, with a particular focus on their electrochemical reactions on carbon paste electrodes (CPE). Three novel azo dyes were synthesized through a two-step process. Firstly, the diazonium salt of sulfamethazine was prepared. Subsequently, this diazonium salt was coupled with three coupling compounds: β-naphthol, α-naphthol, and 6-bromo-2-naphthol, resulting in the formation of the respective azo dyes. The structures of the synthesized colorants were elucidated using a combination of spectroscopic techniques, including FT-IR, 1H NMR, UV-Vis, and mass spectrometry. The UV-vis spectra of synthesized colorants were determined in two solvents (DMF &amp; DMSO) between 200 and 800 nm, with the most significant absorption occurring at around 482–487 nm. Cyclic voltammetry (CV) was employed to investigate the electrochemical properties of the synthesized azo colorant at CPE. It was observed that the current corresponding to the reduction peaks of azo compounds showed a substantial change as the scan rate increased. Moreover, the plots of peak current (Ipc) versus scan rate (ν) demonstrated that the process was adsorption-controlled. In addition to that the impact of concentration of analyte(dyes) and sulfuric acid (supporting electrolyte) was also studied. Fluorescence properties were further investigated in two solvent systems, DMSO and DMF. Notably, compounds M1&amp;M2 displayed significantly enhanced fluorescence intensities and quantum yields in both media.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 973-984"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469044","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Parametric optimization of electro discharge machining for A356/TiB2 composite using neem oil dielectric: Machining performance and surface morphology analysis","authors":"C. Rajaravi (Conceptualization Methodology Supervision Visualization Writing – review & editing) ,&nbsp;U. Elaiyarasan (Conceptualization Investigation Methodology Project administration Validation Writing – original draft)","doi":"10.1080/10426507.2025.2551069","DOIUrl":"10.1080/10426507.2025.2551069","url":null,"abstract":"<div><div>A356 is a lightweight and high-strength aluminum alloy with excellent corrosion resistance, widely used in aerospace, automotive, and marine applications. However, machining of titanium diboride (TiB₂)-reinforced A356 aluminum alloy using unconventional machining methods remains challenging due to the high thermal conductivity and low electrical conductivity, affecting machining efficiency and surface integrity. This study investigates electrical discharge machining (EDM) of A356-10TiB₂ composite fabricated <em>via</em> stir casting, using neem oil dielectric fluid. The composite exhibited a hardness of 78.33 BHN. The EDM process was optimized using response surface methodology (RSM) to minimize surface roughness (SR) and maximize material removal rate (MRR) by varying supplied current (SC), pulse on time (T_on), and pulse off time (T_off). The correlation coefficients for MRR and SR were 99.07% and 99.91%, respectively. MRR and SR initially increased with SC, T_on, and T_off but decreased at higher levels. Higher SC and T_on increased ionization temperature, enhancing MRR, while lower values caused cracks and globules. Optimal parameters (SC = 10 A, T_on = 62 µs, T_off = 7 µs) yielded a maximum MRR of 0.211 g/min and minimum SR of 4.34 µm. The optimization error was 1.9% (MRR) and 3.97% (SR), with desirability score of 0.9865 confirming the reliability of the models.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 905-914"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469005","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Removal of heavy metal ions in wastewater by using aluminum carbide (AlC) monolayer","authors":"Hussein Ali Al-Bahrani (Data curation Investigation Methodology Writing – original draft) ,&nbsp;Ahmed Aldulaimi (Data curation Investigation Software Validation) ,&nbsp;Jameel M. A. Sulaiman (Formal analysis Investigation Resources Software) ,&nbsp;Rafid Jihad Albadr (Resources Software Validation Writing – original draft) ,&nbsp;Waam Mohammed Taher (Conceptualization Formal analysis Methodology Resources) ,&nbsp;Mariem Alwan (Data curation Formal analysis Methodology) ,&nbsp;Hiba Mushtaq (Data curation Resources Software Validation Visualization) ,&nbsp;Aseel Smerat (Conceptualization Supervision Validation Writing – review & editing) ,&nbsp;Mohammed Akbar (Conceptualization Investigation Methodology Software) ,&nbsp;Ahmed Mahal (Conceptualization Data curation Resources Software) ,&nbsp;Hadil Faris Alotaibi (Methodology Software Validation Visualization)","doi":"10.1080/10426507.2025.2564382","DOIUrl":"10.1080/10426507.2025.2564382","url":null,"abstract":"<div><div>First-principles calculations were undertaken for the sake of comparing the adhesion of a number of heavy metal ions (HMIs), like Hg²⁺, Cd²⁺, and Pb²⁺, in wastewaters onto aluminum carbide monolayer (hereafter AlCML) for maximizing the potential of this monolayer in disposing these HMIs in wastewaters. As the simulation results showed, because of the attractive interactions between HMIs and the AlCML, the AlCML can be considered a promising adhesion material for these HMIs. The Al site was the ideal site for the adhesion of these ions, based on the most negative adhesion energy. The value of adhesion energy for the metal’s Cd²⁺, Pb²⁺, and Hg²⁺at the most stable site on the nanosheet was found to be −3.34, −4.56, and −0.83 eV, respectively. The attractive interactions were regarded as chemisorption, having a close relationship with charge transport. The charge transfer values for Cd²⁺ and Pb²⁺ were found to be 0.421e and 0.396e, respectively. The adhesion was facilitated due to the orbital hybridization between the <em>p</em> and <em>d</em> states of the ions and the <em>p</em> state of the Al atoms. Ultimately, the findings demonstrated the possibility of using the AlCML in order remove Pb²⁺ and Cd²⁺ from wastewaters.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 1013-1020"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, characterization, DFT, and molecular docking of 1,2,3,4-tetrahydro-isoquinoline/4-phenylpiperazine-sulfonyl benzamide derivatives as possible antidiabetic agents","authors":"Chafika Bougheloum (Conceptualization Formal analysis Investigation Methodology Software Supervision Validation Visualization Writing – original draft Writing – review & editing) ,&nbsp;Soumaya Bouskia (Conceptualization Formal analysis Investigation Methodology Software Writing – original draft) ,&nbsp;Samia Guezane Lakoud (Investigation Supervision Visualization Writing – original draft Writing – review & editing)","doi":"10.1080/10426507.2025.2571644","DOIUrl":"10.1080/10426507.2025.2571644","url":null,"abstract":"<div><div>In this work, a straightforward and eco-friendly process has been adopted for the preparation of novel sulfonyl benzamides incorporating 1,2,3,4-tetrahydroisoquinoline and 4-phenylpiperazine moieties. The synthesis was efficiently carried out in a one-pot reaction using Preyssler heteropolyacid H₁₄[NaP₅W₃₀O₁₁₀] as a green, heterogeneous catalyst. This method afforded the target compounds in good yields of up to 88% by coupling selected benzoylating agents with sulfonamides under mild conditions. The structures of the synthesized products were confirmed by standard spectroscopic data (¹H NMR,¹³C NMR, and MS) and elemental analysis. Additionally, DFT calculations at the B3LYP/6–311G (d,p) level were employed to explore the electronic properties, reactivity, and stability of the compounds based on HOMO and LUMO energy values. <em>In silico</em> molecular docking studies were conducted to assess the binding interactions between the synthesized sulfonyl benzamide-heterocyclic compounds and the human glucokinase protein (PDB ID: 3IMX). All compounds demonstrated favorable binding affinities, with docking scores reaching up to −10.8 kcal/mol at the active site of 3IMX. These results suggest that the newly developed sulfonyl benzamide derivatives hold promise as potential antidiabetic agents. Furthermore, their pharmacokinetic properties were assessed through ADME/T predictions, providing additional insight into their drug-likeness and therapeutic potential.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 1038-1053"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469009","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and spectral characterization of telluroxanes [C4H7(CH3)Te(OH)(NO3)], [(C2H5)2Te(NO3)]2O, C4H8Te(C2O4), and (C2H5)2Te(C2O4). Single crystal X-ray study of [(C2H5)2Te(NO3)]2O","authors":"Chandan Maurya (Conceptualization Formal analysis Investigation Methodology Project administration Writing – original draft) ,&nbsp;Sangeeta Bajpai (Conceptualization Data curation Project administration Supervision Writing – review & editing) ,&nbsp;Desh Deepak (Supervision) ,&nbsp;Monika Kamboj (Writing – review & editing) ,&nbsp;Ray J. Butcher (Data curation Investigation Software)","doi":"10.1080/10426507.2025.2554282","DOIUrl":"10.1080/10426507.2025.2554282","url":null,"abstract":"<div><div>Organotellurium (IV) compounds 1-hydroxo-1-nitrato-2-methyl-1-telluracyclopentane [C₄H₇(CH₃)Te(OH)(NO₃)] (<strong>1</strong>), <em>µ</em>-oxo-bis[1-nitrato-1,1-diethyltellurium(IV)] [(C₂H₅)₂Te(NO₃)]₂O (<strong>2</strong>), spirooxalato-1-telluracyclopentane C₄H₈Te(C₂O₄) (<strong>3</strong>), and 1,1-oxalato-1,1-diethyltellurium(IV) (C₂H₅)₂Te(C₂O₄) (<strong>4</strong>) were synthesized. Compounds <strong>1</strong> and <strong>2</strong> were synthesized by the reactions of R₂TeI₂, [R₂ = C₄H₇(CH₃), (C₂H₅)₂] with silver nitrate respectively in a 1:2 molar ratio in an aqueous medium at room temperature. Compounds <strong>3</strong> and <strong>4</strong> were synthesized by the reaction of R₂TeI₂ [R₂ = C₄H₈ and (C₂H₅)₂] with silver salt of oxalic acid respectively in a 1:1 molar ratio at room temperature. The synthesized telluroxanes <strong>1–4</strong> were characterized by elemental analysis, spectroscopic methods and single-crystal X-ray diffraction studies. Crystal structure of [(C₂H₅)₂Te(NO₃)]₂O is reported.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 934-941"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469006","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel chromone-based thiazolidinone-5-ylidene through hydrazone linker: synthesis, antiproliferative activity, apoptosis induction, cell cycle arrest, autophagy, in silico ADMET and molecular docking studies","authors":"Somaia M. Abdel-Kariem (Formal analysis Investigation Methodology) ,&nbsp;Tarik E. Ali (Conceptualization Funding acquisition Investigation Supervision) ,&nbsp;Mohammed A. Assiri (Software Validation Writing – original draft) ,&nbsp;Ali A. Shati (Investigation Methodology Software) ,&nbsp;Mohammad Y. Alfaifi (Formal analysis Investigation Software) ,&nbsp;Serag E. I. Elbehairi (Data curation Formal analysis Methodology Software)","doi":"10.1080/10426507.2025.2560493","DOIUrl":"10.1080/10426507.2025.2560493","url":null,"abstract":"<div><div>A novel series of ethyl {3-substituted-4-oxo-2-[(4-oxo-4<em>H</em>-chromen-3-yl)methylene] hydrazineylidene}thiazolidin-5-ylidene}acetate derivatives (<strong>3a–h</strong>) was efficiently synthesized <em>via</em> a one-pot, three-component reaction helped by ultrasonic irradiation. These newly eight compounds were assessed for their cytotoxic effects against SKOV-3 and HeLa cancer cell lines. Among them, both compounds <strong>3c</strong> and <strong>3e</strong> demonstrated the most potent antiproliferative activities in the comparison with doxorubicin. To elucidate their biological mechanisms, cell cycle analysis and apoptosis assays were performed. Both compounds <strong>3c</strong> and <strong>3e</strong> significantly reduced cell viability and promoted apoptosis in the tested cell lines. Moreover, these compounds effectively caused cell cycle arrest at the S and G2 phases in SKOV-3 cells and at the G1 phase in HeLa cells. Supporting these findings, both compounds also triggered substantial autophagic responses. In <em>silico</em> ADMET study revealed that both <strong>3c</strong> and <strong>3e</strong> surpassed doxorubicin in terms of intestinal absorption, central nervous system (CNS) permeability and genomic safety. Particularly, compound <strong>3e</strong> may exhibit excellent oral bioavailability, lower predicted toxicity, and an improved safety profile. Additionally, molecular docking studies indicated strong binding interactions between both compounds and the VEGFR-2 receptor, highlighting their potential as promising scaffolds for future anticancer drug development.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"200 12","pages":"Pages 985-1001"},"PeriodicalIF":1.6,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145469007","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}