Journal of Sulfur Chemistry最新文献

{"title":"Sulfone synthesis in the coupling era: a decade update","authors":"Mohamed Abu Shuheil ,&nbsp;G. Padma Priya ,&nbsp;Amaal Mohammed Ali ,&nbsp;Y. Sasikumar ,&nbsp;Ahmed Aldulaimi ,&nbsp;Renu Sharma ,&nbsp;Abhayveer Singh ,&nbsp;Radwan Ali ,&nbsp;Mosstafa Kazemi","doi":"10.1080/17415993.2026.2632783","DOIUrl":"10.1080/17415993.2026.2632783","url":null,"abstract":"<div><div>Sulfones represent a vital class of organosulfur compounds with broad significance across pharmaceuticals, agrochemicals, materials science, and synthetic chemistry. Traditional oxidation-based methods for sulfone preparation, while historically important, face limitations in chemoselectivity, functional-group tolerance, and environmental sustainability. Over the past decade, coupling-based approaches have emerged as powerful alternatives, enabling direct and modular sulfone-frameworks construction from readily available substrates. This review provides a comprehensive analysis of advances in transition-metal-catalyzed systems alongside transition-metal-free methodologies, including oxidative and photocatalytic sulfonylation strategies developed between 2015 and 2025. Particular emphasis is placed on copper, nickel, palladium, Silver, and Ruthenium catalysis, together with the growing implementation of magnetically recoverable nanocatalysts that offer enhanced efficiency and recyclability. The review also highlights visible-light-driven sulfonylation, oxidative radical methods, and the transformative role of practical SO₂ surrogates such as DABSO(1,4-Diazabicyclo[2.2.2]octane bis(sulfur dioxide)) and sulfite salts. Mechanistic insights – ranging from radical cascades to organometallic cross-coupling and C – H functionalization – are discussed to illustrate the expanding reactivity landscape. Collectively, these innovations have significantly broadened the applicability of sulfone synthesis, enabling late-stage functionalization and improved sustainability. The review concludes with current challenges and future opportunities, underscoring the continued evolution of coupling-based sulfonylation as a critical platform for modern organic synthesis.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"47 3","pages":"Pages 477-515"},"PeriodicalIF":1.6,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147923616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Microwave-assisted green synthesis integrated with computational and biological evaluation of 4-(4-methylphenyl)-1,3-thiazole-2-amine: a sustainable approach","authors":"Pushpa Hadimani ,&nbsp;Dnyandev Bhosale ,&nbsp;Rohini Shivsharan ,&nbsp;Dattatraya Raut ,&nbsp;Arjun Chavan ,&nbsp;Prafulla Choudhari ,&nbsp;Rahul Pinjari ,&nbsp;Anjana Lawand","doi":"10.1080/17415993.2026.2653041","DOIUrl":"10.1080/17415993.2026.2653041","url":null,"abstract":"<div><div>A green, microwave-assisted synthetic route was developed for the efficient preparation of 4-(4-methylphenyl)−1,3-thiazole-2-amine (MPTAA), offering a rapid and environmentally benign alternative to conventional methods. The molecular structure was unambiguously confirmed by IR, NMR, and single-crystal X-ray diffraction (SC-XRD) analyses. To provide deeper structural insight beyond experimental characterization, density functional theory (DFT) calculations were performed using the B3LYP/6-311++G(d,p) level of theory, enabling detailed evaluation of electronic structure, frontier molecular orbitals (FMOs), molecular electrostatic potential (MEP), and chemical reactivity descriptors. Hirshfeld surface analysis and 2D fingerprint plots further elucidated the nature of intermolecular interactions in the crystal lattice. Biological evaluation revealed that MPTAA exhibits superior antibacterial activity against <em>E. coli</em> and <em>B. subtilis</em> (MIC =<span> 500</span> µg/mL) compared to streptomycin (1000 µg/mL), while showing moderate antifungal activity against <em>C. albicans</em> and <em>S. cerevisiae</em> (1250 µg/mL) relative to fluconazole (1000 µg/mL). Notably, the compound demonstrated significant antibiofilm activity against <em>E. coli</em> (IC₅₀ = 99.25 µg/mL) and promising anticancer activity against the human colon cancer HT-29 cell line (IC₅₀ = 71 µg/mL). The combined green synthetic strategy, comprehensive experimental – theoretical structural correlation, and multipronged biological evaluation distinguish this study and highlight MPTAA as a promising scaffold for further pharmaceutical development.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"47 3","pages":"Pages 360-380"},"PeriodicalIF":1.6,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147923722","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-yield synthesis of 2,4-dibromo-5-methoxybenzenesulfonyl chloride as a key intermediate for elobixibat via regioselective bromination","authors":"Xiaolu Huang (Project administration Writing – original draft) ,&nbsp;Huiying Wu (Project administration Writing – original draft) ,&nbsp;Shuting Zou (Data curation) ,&nbsp;Xianglei Liu (Data curation) ,&nbsp;Yilin Zhang (Data curation) ,&nbsp;Jinlin Xiao (Data curation) ,&nbsp;Si Li (Data curation) ,&nbsp;Yunde Kuang (Data curation) ,&nbsp;Guzhou Chen (Resources) ,&nbsp;Xinshan Deng (Conceptualization Data curation Formal analysis Funding acquisition Investigation Methodology Project administration Resources Software Supervision Validation Writing – original draft Writing – review & editing)","doi":"10.1080/17415993.2026.2653045","DOIUrl":"10.1080/17415993.2026.2653045","url":null,"abstract":"<div><div>The synthesis of 2,4-dibromo-5-methoxybenzenesulfonyl chloride, a key pharmaceutical intermediate of Elobixibat, was achieved through a three-step reaction sequence starting from 3-methoxybenzenethiol, involving oxidation, bromination, and chlorosulfonation. The original patent holder, Albireo, reported a total yield of 34% for the synthesis of this intermediate via a two-step process. By increasing the number of synthetic steps and introducing a disulfide bond, this research enhanced the steric hindrance at the 2-position of the phenyl ring in 3-methoxybenzenethiol, thereby selectively introducing bromine atoms at the 4- and 6-positions. This approach resulted in a total yield of 69% for the three-step reaction, representing more than two fold improvement over Albireo's reported yield. The target product was confirmed by ¹H NMR, MS, and IR spectroscopy.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"47 3","pages":"Pages 394-401"},"PeriodicalIF":1.6,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147923724","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design, synthesis, and in-vitro evaluation of β-(Thiosemicarbazide/Thiosemicarbazone)-Sulfides targeting Klebsiella pneumoniae: exploring binding interactions with topoisomerase IV and KPC-2 carbapenemase via molecular docking","authors":"Jaswinder Kaur (Conceptualization Data curation Formal analysis Methodology Visualization Writing – original draft Writing – review & editing) ,&nbsp;Pankaj Kumar (Conceptualization Data curation Formal analysis Methodology Visualization Writing – original draft Writing – review & editing) ,&nbsp;Sakshi Paliwal (Formal analysis Investigation) ,&nbsp;Nancy Koundal (Writing – review & editing) ,&nbsp;Suraj Rana (Writing – original draft) ,&nbsp;Anil Kumar Pinnaka (Supervision Writing – review & editing) ,&nbsp;Aman Bhalla (Supervision Writing – review & editing)","doi":"10.1080/17415993.2026.2655764","DOIUrl":"10.1080/17415993.2026.2655764","url":null,"abstract":"<div><div>A novel series of β-(thiosemicarbazide/thiosemicarbazone)-sulfide derivatives (<strong>6a – i</strong> and <strong>8a – k</strong>) was synthesized through a streamlined multi-step approach designed to yield new antibacterial candidates. Structural elucidation was accomplished using comprehensive spectroscopic techniques. The antibacterial efficacy of the synthesized compounds was evaluated <em>via</em> minimum inhibitory concentration (MIC) assays against multiple bacterial strains. Notably, compounds <strong>6d</strong>, <strong>6e</strong>, and <strong>6 h</strong> demonstrated potent and selective activity against <em>Klebsiella pneumoniae</em> (<em>K. pneumoniae</em>) with MIC values of 50 µg/mL, compared to the reference drug ciprofloxacin (MIC ≥ 32 µg/mL). These compounds also exhibited significant antioxidant activity in DPPH radical scavenging assays, with inhibition ranging from 75.13% to 83.74%, approaching that of ascorbic acid (87.5%). Molecular docking studies further supported their potential, revealing stable binding interactions with the active sites of <em>K. pneumoniae</em> topoisomerase IV and carbapenemase enzymes. Collectively, these findings highlight the dual antibacterial and antioxidant potential of the synthesized derivatives, positioning them as promising candidates for further development, particularly against multidrug-resistant <em>K. pneumoniae</em>.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"47 3","pages":"Pages 402-425"},"PeriodicalIF":1.6,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147923577","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First crystalline salt of 1,1-bis-(carboxymethylthio)-1-phenylethane: synthesis, crystal structure, Hirshfeld surface analysis, and computational study","authors":"Sabiya Osmanova ,&nbsp;Malahat Kurbanova ,&nbsp;Jaweria Ambreen ,&nbsp;Muhammad Ashfaq ,&nbsp;Muhammad Nawaz Tahir ,&nbsp;Onur Şahin ,&nbsp;Khizar Hussain Shah ,&nbsp;Aseel Smerat ,&nbsp;Youness El Bakri ,&nbsp;Hazrat Bilal ,&nbsp;Rashad Al-Salahi","doi":"10.1080/17415993.2026.2635450","DOIUrl":"10.1080/17415993.2026.2635450","url":null,"abstract":"<div><div>The reaction of 1,1-bis-(carboxymethylthio)-1-phenylethane with piperidine was conducted in an acetone solution at a molar ratio of the initial components of 1:2. As a result, a new compound was obtained: piperidinium-1,1-bis-(carboxymethylthio)-1-phenylethane, characterized by FT-IR. The crystal structure of the synthesized compound is structurally elucidated via single crystal XRD technique, indicating that a H-atom is transferred from half of the piperidinium-1,1-bis-(carboxymethylthio)-1-phenylethane part to the piperidine ring and the structure is a salt in nature. N–H $ cdots $ <span><math><mo>⋯</mo></math></span>O and C–H $ cdots $ <span><math><mo>⋯</mo></math></span>O bondings contribute to the stability and enforcement of crystal packing; further assessment is supported via Hirshfeld surface analysis, considering interatomic contacts. We employed density functional theory (DFT)-based computations along with molecular dynamics (MD) simulations in a systematic manner, aiming for the investigation of the stabilizing interactions and electronic characteristics of the molecular ionic compound. The structural framework is notably stabilized by dual N–H···O hydrogen bonding, originating from piperidine rings positioned on either side of the central fragment. Electronic structure analysis revealed intermolecular charge transfer characteristics through HOMO–LUMO orbital distributions, complemented by TD-DFT studies of excited state behavior. Furthermore, ab initio MD simulations at 300 K conclusively demonstrated the ionic compound's robust kinetic and dynamic stability.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"47 3","pages":"Pages 426-442"},"PeriodicalIF":1.6,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147923578","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"MgFe2O4 catalysed one-pot synthesis of 3-phenylbenzo[4,5]imidazo[2,1-b]thiazoles","authors":"Netanrao Sandeep (Conceptualization Investigation Methodology Validation) ,&nbsp;Wagare Devendra ,&nbsp;Patil Chandrashekhar","doi":"10.1080/17415993.2026.2653044","DOIUrl":"10.1080/17415993.2026.2653044","url":null,"abstract":"<div><div>A one-pot synthesis of 3-phenylbenzo[4,5]imidazo[2,1-b]thiazoles has been developed using MgFe₂O₄ as a catalyst. This method condenses 1H-benzo[d]imidazole-2-thiol with various α-bromocarbonyl compounds under mild conditions. The magnetic properties of MgFe₂O₄ allow for easy separation and recycling, making the process cost-effective and sustainable. The reaction yields good to excellent results and demonstrates high selectivity for the desired product. The synthesized compounds are valuable scaffolds with potential medicinal applications due to their biological activity. This approach highlights the efficiency and eco-friendliness of MgFe₂O₄ in organic synthesis.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"47 3","pages":"Pages 381-393"},"PeriodicalIF":1.6,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147923723","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Chemoselective synthesis of 4-[(Alkylsulfinyl)methyl]-3,5-dimethyl-1H-pyrazoles using hydrogen peroxide or 1,1-Di(hydroperoxy)cyclohexane","authors":"Larisa A. Baeva (Conceptualization Data curation Resources Writing – original draft) ,&nbsp;Stanislav A. Grabovskii (Conceptualization Funding acquisition Visualization) ,&nbsp;Rustam L. Safiullin (Data curation Funding acquisition Validation)","doi":"10.1080/17415993.2026.2642031","DOIUrl":"10.1080/17415993.2026.2642031","url":null,"abstract":"<div><div>A chemoselective method for synthesizing 4-[(alkylsulfinyl)methyl]-3,5-dimethyl-1<em>H</em>-pyrazoles via oxidation of the corresponding 4-[(alkylsulfanyl)methyl]-3,5-dimethyl-1<em>H</em>-pyrazoles is reported. The oxidation is performed under mild conditions using either hydrogen peroxide in acetone or 1,1-di(hydroperoxy)cyclohexane in benzene, achieving yields up to 98%. The methods are highly selective, halting at the sulfoxide stage even with excess oxidant. The influence of reaction conditions (oxidant concentration, solvent, and temperature) on the yield of sulfoxide is discussed, highlighting the efficiency and practicality of the proposed approach. The products were characterized by IR, ¹H NMR, ¹³C NMR, and mass spectrometry.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"47 3","pages":"Pages 333-341"},"PeriodicalIF":1.6,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147923720","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The potential of agricultural wastes-based adsorbent for desulfurization of petroleum fractions","authors":"Florah A. Mwasamila ,&nbsp;Silvia J. Mushi (Conceptualization Data curation Formal analysis Investigation Methodology Project administration Supervision Validation Writing – review & editing) ,&nbsp;Petro E. Mabeyo (Conceptualization Data curation Methodology Project administration Supervision Validation Writing – review & editing)","doi":"10.1080/17415993.2026.2656471","DOIUrl":"10.1080/17415993.2026.2656471","url":null,"abstract":"<div><div>Sulfur-containing compounds in petroleum products pose significant risks to environmental quality and human health. During combustion, these compounds, particularly sulfur dioxide (SO₂), are released into the atmosphere, contributing to air pollution and acid rain. Conventional desulfurization methods, such as hydrodesulfurization, are capital- and energy-intensive and require costly catalysts, increasing operational expenses. In contrast, adsorption offers a simpler, low-energy alternative capable of removing sulfur compounds under mild conditions. Despite extensive research on activated carbon, agricultural waste-based adsorbents remain underutilized, especially in regions where such materials are abundant. This study developed a cost-effective adsorbent for sulfur removal from diesel and kerosene using locally sourced biomass. Batch adsorption experiments evaluated the effects of contact time (4-48 hours), adsorbent dosage (1-10%), and initial sulfur concentration (10 ppm, 50 ppm, 100 ppm, and 189.7 ppm). The synthesized adsorbents, particularly the CNS 1:4 formulation, showed superior performance compared to commercial activated carbon, achieving removal efficiencies of 80.92% for kerosene and 71.8% for diesel. Adsorption followed both the Langmuir and the Freundlich isotherms, yielding a high correlation coefficient (<em>R</em>² = 0.977) and conformed to a pseudo-second-order kinetic model, indicating chemisorption. These findings highlight cashew nut shell-derived activated carbon as an efficient, economical, and sustainable material for fuel desulfurization.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"47 3","pages":"Pages 443-476"},"PeriodicalIF":1.6,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147923612","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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, and exploration of the antimicrobial potential of thiophene-linked 2-(2-hydrazinyl)thiazole scaffolds: a DFT study, molecular docking analysis, and ADME evaluation","authors":"Rahul A. Shinde ,&nbsp;Vishnu A. Adole ,&nbsp;Rohit S. Shinde ,&nbsp;Tulshidas S. Savale ,&nbsp;Bapu S. Jagdale","doi":"10.1080/17415993.2026.2632200","DOIUrl":"10.1080/17415993.2026.2632200","url":null,"abstract":"<div><div>In this study, we report the synthesis, structural characterization, computational analysis, and antimicrobial evaluation of 2-(2-hydrazinyl)thiazole derivatives. Structural elucidation was accomplished using FT-IR, ¹H NMR, and ¹³C NMR spectroscopy, while Density Functional Theory (DFT) calculations at the B3LYP/6-311G(d,p) level provided insights into optimized geometries, electronic properties, and global reactivity descriptors. Antimicrobial screening revealed notable antifungal activity for compounds 4d, 4f, and 4g, with compound 4g exhibiting superior inhibition against <em>Candida albicans</em> and displaying a low MIC value. Molecular docking studies against sterol 14-α-demethylase (CYP51) demonstrated strong binding of compound 4g within the enzyme active site, yielding a favorable docking score of −8.1 kcal/mol. The binding of compound 4g stabilized by π – cation interaction, π – π interactions, π – sulfur interactions, and extensive hydrophobic contacts, supporting its potent antifungal activity. Electronic structure analysis showed HOMO – LUMO energy gaps in the range of 3.06–3.79 eV, with compound 4 g displaying favorable global reactivity parameters. Theoretical IR spectra showed good agreement with experimental results, validating the computational approach. SwissADME predictions indicated favorable pharmacokinetic properties, supporting the drug-likeness of the active compound. The combined experimental, docking, and computational findings highlight compound 4g, along with 4d, as promising antifungal leads for further development.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"47 3","pages":"Pages 301-332"},"PeriodicalIF":1.6,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147923719","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of new 1,3,4-oxadiazole tethered thiazole scaffolds as promising anti-diabetic agents through α-glucosidase inhibition","authors":"Saritha Keerthi (Investigation) ,&nbsp;Nagaraju Kerru (Supervision Writing – original draft) ,&nbsp;Suprapaneni Sirisha (Conceptualization) ,&nbsp;G. Jeevan Raghavendra (Formal analysis) ,&nbsp;Amal F. Seliem (Resources) ,&nbsp;Mohamed M. Ibrahim (Data curation) ,&nbsp;Suresh Maddila (Writing – review & editing)","doi":"10.1080/17415993.2026.2648605","DOIUrl":"10.1080/17415993.2026.2648605","url":null,"abstract":"<div><div>Novel thiazole-oxadiazole hybrids (<strong>8a</strong>-<strong>j</strong>) were synthesized and investigated for their antidiabetic activity against <em>α</em>-glucosidase as an enzymatic target. The synthesized hybrid compounds displayed notably excellent inhibitory activity; amongst all examined heterocyclic hybrids. Compounds <em>para</em>-nitro and -chloro substituted on the phenyl ring hybrids exhibited a ∼1.5-fold and 2-fold magnificent <em>α</em>-glucosidase inhibition (IC₅₀ = 2.74 and 1.98 µg/mL), as associated with the acarbose standard drug, 3.89 µg/mL. Structural establishment of the heterocycles bearing the electron-withdrawing (NO₂) group at the <em>para-</em> and <em>meta</em>-positions on the phenyl ring significantly affected the inhibitory activity. The fabricated molecular hybrids demonstrated superior binding to the <em>α</em>-glucosidase enzyme. Molecular docking examines these hybrid compounds in the active site of the <em>α</em>-glucosidase enzyme to describe and emphasize the alleged binding interfaces ascribing to selective inhibition.</div></div>","PeriodicalId":17081,"journal":{"name":"Journal of Sulfur Chemistry","volume":"47 3","pages":"Pages 342-359"},"PeriodicalIF":1.6,"publicationDate":"2026-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147923721","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}