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

{"title":"Synthesis and antibacterial evaluation of novel 1,2,4-oxadiazole derivatives bearing a 1,3,4-oxadiazole thioether moiety","authors":"Yong Liu (Data curation Writing – original draft) ,&nbsp;Lei Shao (Writing – original draft) ,&nbsp;Huanhuan Liu (Data curation) ,&nbsp;Xin Dai (Writing – original draft) ,&nbsp;Chenghao Tang (Writing – review & editing)","doi":"10.1080/10426507.2026.2647299","DOIUrl":"10.1080/10426507.2026.2647299","url":null,"abstract":"<div><div>A series of novel 1,2,4-oxadiazole derivatives incorporating 1,3,4-oxadiazole thioether moiety were designed and synthesized, and their <em>in vitro</em> antibacterial activities against <em>Xanthomonas oryzae</em> pv. <em>oryzae</em> (<em>Xoo</em>), <em>Pseudomonas syringae</em> pv. <em>actinidiae</em> (<em>Psa</em>), and <em>Xanthomonas axonopodis</em> pv. <em>citri</em> (<em>Xac</em>) were evaluated. Bioassay results revealed that compounds <strong>6b</strong>, <strong>6r</strong>, and <strong>6s</strong> showed excellent inhibitory effects against <em>Psa</em>, compounds <strong>6r</strong> and <strong>6s</strong> indicated pronounced inhibitory activity against <em>Xoo</em>, compounds <strong>6b</strong> and <strong>6r</strong> demonstrated notable inhibitory activity against <em>Xac</em>. Future work will focus on exploring their bioactive potential, with the aim of discovering novel 1,2,4-oxadiazole derivatives and evaluating their broader applicability.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"201 6","pages":"Pages 980-986"},"PeriodicalIF":1.6,"publicationDate":"2026-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148207930","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":"Influence of biochar and zeolite-based Zn and Fe nano composites on nutrient content, uptake, and agronomic fortification of Zn and Fe in rice","authors":"D. Arul Raja Sekaran (Formal analysis Funding acquisition Investigation Resources) ,&nbsp;M Bakkiyaraj (Conceptualization Data curation) ,&nbsp;P. Rajakrishnamoorthy (Methodology Validation Visualization Writing – original draft) ,&nbsp;R Singaravel (Supervision Writing – review & editing)","doi":"10.1080/10426507.2026.2640178","DOIUrl":"10.1080/10426507.2026.2640178","url":null,"abstract":"<div><div>The present investigation aims to optimize the effect of biochar and zeolite-based nano composites (Zn and Fe) on the various factors such as nutrient content and nutrient uptake and Agronomic fortification of Zn and Fe in rice. Seven types of completely randomized design treatment were examined using Aduthurai-43 rice (ADT 43) with three replications, namely, Tr-1 – RFD NPK(120:40:40) (Control), Tr-2 – RFD + FeSO₄ at 25 kg·ha⁻¹ + ZnSO₄ at 25 kg·ha⁻¹, Tr-3 – RFD + nano FeO + nano ZnO foliar at 500 ppm, Tr-4 – RFD + 1 g·kg⁻¹ of nano zeolite composite, Tr-5 – RFD + 1 g·kg⁻¹ of nano biochar composite, Tr-6 – RFD + nano FeO + nano ZnO foliar each at 500 ppm + nano zeolite composite, and Tr-7 – RFD + nano FeO + nano ZnO foliar each at 500 ppm + 1 g·kg⁻¹ nano biochar composite. To determine the major and micro nutrient contents, grain samples and straw samples (harvest) were collected and examined using two acid extract, prepared from H₂SO₄ and HClO₄ solution with 5:1 ratio. Among the treatments, Tr-7 significantly increased the NPK content of 0.99, 0.30 and 0.69 and Zn and Fe content by registering 22.4 and 246 mg·kg⁻¹ of Zn and Fe, respectively, by grain and 50.7 and 241 mg·kg⁻¹, respectively, by straw.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"201 6","pages":"Pages 910-916"},"PeriodicalIF":1.6,"publicationDate":"2026-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148207952","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":"Research progress of the synthesis of phosphorothioates, phosphonothioates and phosphinothioates","authors":"Xiaosong Wang (Writing – original draft) ,&nbsp;Li Ye (Writing – original draft) ,&nbsp;Qiaoyu Gan (Supervision) ,&nbsp;Tingting Zhang (Resources Supervision) ,&nbsp;Lixin Ma (Supervision Visualization Writing – original draft) ,&nbsp;Yingli Liu (Supervision Writing – original draft) ,&nbsp;Xi Chen (Supervision Writing – review & editing) ,&nbsp;Zeqi Jiang (Supervision Writing – review & editing)","doi":"10.1080/10426507.2026.2647298","DOIUrl":"10.1080/10426507.2026.2647298","url":null,"abstract":"<div><div>Phosphorothioates, phosphonothioates and phosphinothioates constitute an important class of compounds that have been widely applied in the fields of pesticides, pharmaceuticals, and organic synthesis. In this review, the synthesis of phosphorothioate, phosphonothioate and phosphinothioate are classified into two categories according to their catalytic modes, including metal catalysis, halogen activation, base catalysis, photocatalysis, electrocatalysis, and organocatalysis. The representative advances in the synthesis of this compounds reported up to 2026 are comprehensively summarized.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"201 6","pages":"Pages 792-824"},"PeriodicalIF":1.6,"publicationDate":"2026-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148207982","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":"Investigation of cooperativity in triple adducts of phosphangulene PG(HX)(Y)–: a theoretical study","authors":"Abdul Bari Omary (Formal analysis Investigation) ,&nbsp;Abedien Zabaradsti (Formal analysis Investigation Writing – review & editing)","doi":"10.1080/10426507.2026.2632949","DOIUrl":"10.1080/10426507.2026.2632949","url":null,"abstract":"<div><div>A theoretical study of the model dyad and triad complexes of general formula PG(HX), PG(Y)⁻ and PG(HX)(Y)⁻ (HX = HF, HCl and Y = F⁻, Cl⁻, C≡N⁻, N≡C⁻) has been carried out using density functional theory at B3LYP/6-311++G(2d,2p) computational level and basis set. Four distinctive non-covalent interaction patterns, including pnictogen bond (PnB), tetrel bond (TtB), chalcogen bond (ChB), and hydrogen bond (HB), were found for complex formation between phosphangulene (PG) with CN⁻, NC⁻, F⁻, Cl⁻ anions and HF, HCl neutral molecules. Each HX and Y component can interact on the apex or at basal sites of the PG molecule and result in PG(HX)_a(Y)_b⁻ or PG(Y)_a(HX)_b⁻ aggregates. From the anticipated models, stabilities of the PG(CN)_a(HF)_b⁻, PG(NC)_a(HF)_b⁻, PG(F)_a(HF)_b⁻, PG(F)_a(HF)_b⁻, and PG(Cl)_a(HF)_b⁻ triads are greater than other types. The electron release of PG to the HX molecules helps it to take electron from Y ions, thus PG(HX)(Y)⁻ triads show greater stability and considerable cooperative effect relative to corresponding dyad adducts. Natural bond orbital theory (NBO) and Bader’s theory of “atoms in molecules” (AIM) methods have been applied to analyze the intermolecular interactions. Strong correlations have been observed between stabilities and charge transfer (qCT) in the analyzed systems.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"201 6","pages":"Pages 855-869"},"PeriodicalIF":1.6,"publicationDate":"2026-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148207985","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":"Design, synthesis, pharmacological evaluation and in-silico analysis of quinazoline derivatives as potential therapeutic agents","authors":"Kholoud Zaki (Data curation Formal analysis Investigation Methodology) ,&nbsp;Zeinab K. Hamza (Conceptualization Data curation Formal analysis Investigation Methodology) ,&nbsp;Adel A. H. Abdel-Rahman (Conceptualization Funding acquisition Project administration Resources Supervision Writing – original draft) ,&nbsp;Magdy M. Hemdan (Conceptualization Funding acquisition Project administration Writing – original draft) ,&nbsp;Ibrahim F. Nassar (Formal analysis Project administration Software Supervision Writing – original draft) ,&nbsp;Ahmed F. El-Sayed (Investigation Software Visualization Writing – original draft) ,&nbsp;Mosaad A. Abdel-Wahhab (Conceptualization Data curation Project administration Supervision Validation Writing – review & editing)","doi":"10.1080/10426507.2026.2642861","DOIUrl":"10.1080/10426507.2026.2642861","url":null,"abstract":"<div><div>This study focuses on the design, synthesis, and comprehensive biological evaluation of novel quinazoline derivatives as potential therapeutic agents. The structures of nine synthesized compounds were confirmed using spectral methods such as infrared (IR), proton nuclear magnetic resonance (¹H NMR) spectroscopy, and elemental analysis. These compounds were assessed for antimicrobial, antioxidant, and anticancer activities against human cancer cell lines including hepatocellular carcinoma (HepG-2), breast cancer (MCF-7), and colorectal carcinoma (HCT-116). Among them, Compounds <strong>8</strong> and <strong>9</strong> exhibited remarkable biological activities. Both compounds demonstrated significant antimicrobial and antioxidant effects, alongside potent antiproliferative activity against (HepG-2), breast cancer (MCF-7) and colorectal carcinoma (HCT-116) cell lines. Notably, Compound <strong>8</strong> showed superior cytotoxicity with IC₅₀ values of 30.81, 53.41, and 76.73 µM against HepG-2, MCF-7, and HCT-116 cells, respectively, outperforming Compound <strong>9</strong>. Molecular docking studies corroborated these results, revealing strong binding affinities of Compounds <strong>8</strong> and <strong>9</strong> to key protein targets implicated in antimicrobial and anticancer mechanisms, including <em>Escherichia coli</em> DNA gyrase, <em>Staphylococcus aureus</em> dihydropteroate synthase (DHPS), CDK2 and EGFR. Furthermore, <em>in-silico</em> ADMET predictions indicated favorable drug-likeness and low toxicity risks, aligning with Pfizer’s drug design guidelines. Overall, Compounds <strong>8</strong> and <strong>9</strong> emerge as promising leads with broad-spectrum therapeutic potential for pharmaceutical and food industry applications.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"201 6","pages":"Pages 957-979"},"PeriodicalIF":1.6,"publicationDate":"2026-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148207929","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":"Discovery of novel antibiotic thioether derivatives against tobacco bacterial wilt (Ralstonia solanacearum)","authors":"Jiting Li (Investigation Resources Writing – original draft) ,&nbsp;Feng Hao (Conceptualization Formal analysis Methodology Resources Software Visualization) ,&nbsp;Zhihua Liu (Methodology) ,&nbsp;Xinhui Wang (Resources) ,&nbsp;Ran Song (Formal analysis) ,&nbsp;Yimai Yin (Resources) ,&nbsp;Wei Jiang (Software) ,&nbsp;Xiaoxi Si (Software) ,&nbsp;Wenjin Sun (Data curation) ,&nbsp;Le Cai (Project administration Supervision) ,&nbsp;Fengmei Zhang (Funding acquisition Project administration)","doi":"10.1080/10426507.2026.2636154","DOIUrl":"10.1080/10426507.2026.2636154","url":null,"abstract":"<div><div>This study focuses on the synthesis of six novel thioether derivatives with potent antimicrobial activity against <em>Ralstonia solanacearum</em>, the causative agent of tobacco bacterial wilt. This disease, which has caused significant economic losses, has become increasingly resistant to traditional bactericides. In response, the study investigates the potential of thioether derivatives, known for their broad spectrum of biological activities, as eco-friendly alternatives. Through SEM observations, molecular docking, and DFT calculations, we identified DHFR as a potential target for these compounds, particularly highlighting compound <strong>R4</strong>, which showed superior activity compared to conventional controls. Additionally, toxicity predictions and ADME simulations suggest that compound <strong>R4</strong> could be a promising, safe agricultural antimicrobial agent. This research aims to expand the range of agricultural chemical frameworks and contribute to the development of more effective and environmentally friendly solutions for pest and disease control.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"201 6","pages":"Pages 897-903"},"PeriodicalIF":1.6,"publicationDate":"2026-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148207932","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":"Quantum chemical engineering of end-capping acceptors on DNR based molecules for their efficient optoelectronic properties to enhance photovoltaic properties","authors":"Mahnoor Awan (Conceptualization Data curation Writing – original draft) ,&nbsp;Muhammad Muzammal (Formal analysis Methodology) ,&nbsp;Hamza Saleem (Software Validation) ,&nbsp;Muhammad Mohsin (Formal analysis Software Supervision Validation Visualization) ,&nbsp;Muhammad Azam Qamar (Writing – review & editing)","doi":"10.1080/10426507.2026.2640187","DOIUrl":"10.1080/10426507.2026.2640187","url":null,"abstract":"<div><div>To enhance the photovoltaic attributes of organic solar cells, six new molecules (A-D-A type) are tailored through end-capped modification of the existing DNO15T molecule. To evaluate their properties, various computational calculations have been performed using density functional theory (DFT) with B3LYP/6–31G(d,p) functional. We studied several geometrical attributes such as density of states (DOS), dipole moment, excitation and binding energy, open circuit voltage (<em>V</em>_OC), fill factor, molecular electrostatic potential, alignment of frontier molecular orbitals, transition density matrix (TDM), reorganizational energy, molecular planarity, deviation of planarity of all the tailored molecules (DN1–DN6) along with the reference DNR. NCI graphs and isosurfaces were additionally employed to analyze their non-covalent interactions. These newly designed molecules exhibited noteworthy enhancements in optoelectronic and performance-based metrics than the reference. Almost all molecules showed a bathochromic shift in their absorption profile, with the value of <em>λ</em>_max ranging from 612 to 818 nm in chloroform solvent. A remarkable reduction in energy loss value has also been observed in tailored molecules except DN6. New end-capped molecules DN1, DN2, DN3, and DN6 exhibited less bandgap value than the reference. Similarly, DN3–DN5 has remarkable improvements in the value of open circuit voltage and fill factor. In short, almost every newly designed molecule has showcased remarkable outcomes in terms of numerous assessed attributes.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"201 6","pages":"Pages 917-940"},"PeriodicalIF":1.6,"publicationDate":"2026-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148207926","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":"Black phosphorus platforms for electrochemical biosensing: stability, functionalization, and wearable applications","authors":"Xingxing Li (Data curation Formal analysis Software Writing – original draft) ,&nbsp;Li Fu (Conceptualization Project administration Writing – review & editing) ,&nbsp;Fei Chen (Data curation Formal analysis Methodology Writing – original draft) ,&nbsp;Yanfei Lv (Formal analysis Validation Visualization) ,&nbsp;Shichao Zhao (Investigation Methodology Resources Software) ,&nbsp;Hassan Karimi-Maleh (Conceptualization Supervision Visualization Writing – review & editing)","doi":"10.1080/10426507.2026.2637681","DOIUrl":"10.1080/10426507.2026.2637681","url":null,"abstract":"<div><div>Black phosphorus (BP), a two-dimensional (2D) layered material, has emerged as a highly promising candidate for next-generation electrochemical biosensing platforms. Its unique combination of a layer-tunable direct bandgap, high charge carrier mobility, and pronounced in-plane anisotropy distinguishes it from other 2D materials such as graphene and transition metal dichalcogenides. These intrinsic properties render BP highly responsive to local electronic perturbations, enabling sensitive transduction for low-abundance biological targets. However, practical deployment is severely hampered by rapid degradation under oxygen, water, and light. This review is primarily focused on BP-enabled electrochemical biosensing, emphasizing stability engineering, surface functionalization for biointerfaces, and device integration toward flexible and wearable sensing; imaging or drug-delivery studies are discussed only when they provide transferable stabilization or biocompatibility insights. We analyze BP degradation mechanisms, then compare stabilization strategies with explicit attention to the tradeoffs between physical encapsulation and chemical functionalization (covalent versus non-covalent). We next summarize electrochemical detection across representative analyte classes, spanning small molecules (e.g. neurotransmitters) to macromolecular biomarkers (e.g., nucleic acids and proteins), and we close by outlining wearable integration routes and the remaining barriers for real-world operation in complex biofluids and scalable manufacturing.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"201 6","pages":"Pages 775-791"},"PeriodicalIF":1.6,"publicationDate":"2026-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148207931","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, spectroscopic characterization, DFT study, and antibacterial evaluation of sulfur-bridged thiazole-, thiadiazole-, and triazine-based heterocyclic scaffolds","authors":"Sarathi N. (Data curation Formal analysis Investigation Writing – original draft) ,&nbsp;Ashok Kumar S. L. (Methodology) ,&nbsp;Saravana Kumar M. (Writing – review & editing) ,&nbsp;Satheesh Kumar N. (Data curation) ,&nbsp;Rajalakshmi R. (Resources Software)","doi":"10.1080/10426507.2026.2632952","DOIUrl":"10.1080/10426507.2026.2632952","url":null,"abstract":"<div><div>The development of structurally diverse heterocyclic frameworks remains a cornerstone in the search for new antimicrobial agents. In this work, four sulfur-bridged heterocyclic scaffolds (S1–S4) featuring thiazole, thiadiazole, pyridine, and triazine cores were synthesized using a one-pot base-promoted nucleophilic substitution strategy facilitated by phase-transfer catalysis. Structural elucidation was achieved using spectroscopic techniques, including FT-IR, UV-Visible, ¹H,¹³C NMR, and ESI mass spectrometry. Single-crystal X-ray diffraction data for scaffold S4 confirmed its symmetrical, rigid architecture. The electronic absorption spectra revealed dominant π → π* transitions, consistent with high molecular planarity and delocalized electronic systems. Further insight into the electronic properties of S4 was obtained through density functional theory (DFT) calculations, which supported its extended conjugation and electron-donating potential. Antibacterial studies showed all scaffolds displayed varying inhibition against both Gram-positive and Gram-negative strains, with S4 consistently exhibiting the largest inhibition zones. Although Ciprofloxacin exhibited larger inhibition zones, the consistent measurable activity of S4 highlights it as a promising lead scaffold for future antibacterial development. The favorable performance of S4 is attributed to its highly conjugated structure and physicochemical properties, underscoring the importance of scaffold design in medicinal chemistry. Future molecular docking studies will be undertaken and correlated with <em>in vitro</em> antibacterial results to provide deeper insights into binding interactions and structure–activity relationships.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"201 6","pages":"Pages 870-883"},"PeriodicalIF":1.6,"publicationDate":"2026-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148207986","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":"Design, synthesis, bioactivity evaluation, molecular docking, ADMET, and drug-likeness studies of novel thiochroman-4-one derivatives containing a semicarbazone moiety as potential α-glucosidase inhibitors","authors":"Qing Liu (Conceptualization Data curation Methodology Software Writing – original draft) ,&nbsp;Jinying Huang (Data curation Methodology Software Writing – original draft) ,&nbsp;Wenmin Pan (Data curation Investigation Methodology Software Validation) ,&nbsp;Tiantian Zhuang (Conceptualization Data curation Methodology Software Validation) ,&nbsp;Xiang Wang (Funding acquisition Project administration Writing – original draft) ,&nbsp;Pei Li (Conceptualization Data curation Funding acquisition Methodology Project administration Software Validation Writing – original draft Writing – review & editing)","doi":"10.1080/10426507.2026.2641681","DOIUrl":"10.1080/10426507.2026.2641681","url":null,"abstract":"<div><div>In this study, a series of novel thiochroman-4-one derivatives incorporating a semicarbazone functional group were successfully synthesized and thoroughly characterized <em>via</em> ¹H NMR,¹³C NMR, and HRMS analyses. Biological evaluations revealed that the synthesized compounds <strong>6a</strong>–<strong>6k</strong> exhibited moderate <em>in vitro</em> antioxidant effects, as demonstrated by their ability to scavenge DPPH and ABTS radicals, along with notable α-glucosidase inhibition. Among them, compound <strong>6h</strong> stood out with significant <em>in vitro</em> inhibitory potency against α-glucosidase, yielding an IC₅₀ value of 84.65 µg/mL, which was substantially lower than that of acarbose (237.48 µg/mL). The molecular docking analysis revealed that compound <strong>6h</strong> interacts strongly with the active site of human intestinal α-glucosidase (PDB ID: 3TOP) via several binding interactions, exhibiting a binding energy of −8.6 kcal/mol. Moreover, the predicted ADMET properties and drug-likeness evaluation suggest that compound <strong>6h</strong> possesses promising pharmacokinetic characteristics and a low toxicity risk, fulfilling essential requirements for prospective therapeutic candidates.</div></div>","PeriodicalId":20056,"journal":{"name":"Phosphorus, Sulfur, and Silicon and the Related Elements","volume":"201 6","pages":"Pages 941-948"},"PeriodicalIF":1.6,"publicationDate":"2026-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148207927","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}