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<p>The rising burden of diabetes, oxidative stress, and antimicrobial resistance underscores the need for safe, multifunctional therapeutics. This study explores the antioxidant, antidiabetic, antimicrobial, anti-inflammatory, and anti-biofilm properties of <i>Silybum marianum</i> (<i>S. marianum</i>) L. Gaertn. acetic acid extract, complemented by phytochemical profiling and molecular docking. The extract of <i>S. marianum</i> exhibited strong multifunctional bioactivity supported by in vitro and in silico analyses. Antioxidant evaluation (DPPH, ABTS, FRAP) revealed dose-dependent radical scavenging, achieving up to 92.5% inhibition at 1000&#xa0;µg/mL and a high ferric-reducing capacity (105.6 µM Fe²⁺ equivalents). The extract significantly inhibited α-amylase and α-glucosidase, confirming its antidiabetic potential. In antimicrobial assays, notable activity was observed against <i>Bacillus subtilis</i> (15.2&#xa0;mm) and <i>Staphylococcus aureus</i> (14.6&#xa0;mm), with moderate effects on Gram-negative and fungal strains. The extract also showed over 85% inhibition of <i>S. aureus</i> biofilm formation, suggesting interference with quorum sensing and EPS matrix synthesis. Anti-inflammatory assays demonstrated up to 91.2% inhibition of protein denaturation and 86.7% red blood cell membrane stabilization, comparable to indomethacin. Macrophage-based cellular studies confirmed suppression of nitric oxide and pro-inflammatory cytokines (TNF-α, IL-6, IL-1β) with &gt; 85% cell viability. GC–MS analysis identified major bioactives including D-arabinitol, chalcone derivatives, and isoquinoline compounds, which were strongly bound to key targets in docking studies—α-amylase, DNA gyrase, COX-2, and NADPH oxidase (binding energies − 9.0 to − 9.9&#xa0;kcal/mol). These results collectively highlight <i>S. marianum</i> as a biocompatible source of multifunctional phytochemicals with antioxidant, antidiabetic, antimicrobial, anti-inflammatory, and anti-biofilm properties, supporting its potential for nutraceutical and therapeutic applications.</p>

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Silybum marianum extract as a next-generation multifunctional therapeutic: potent antioxidant, antidiabetic, antimicrobial, anti-inflammatory, and anti-biofilm activities validated by phytochemical profiling and molecular docking

  • 期刊论文

  • 发表日期：

    2025年12月10日

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  • Muhammad Tahir Akhtar,
  • Mubshara Saadia,
  • Muhammad Imran Irfan

摘要

The rising burden of diabetes, oxidative stress, and antimicrobial resistance underscores the need for safe, multifunctional therapeutics. This study explores the antioxidant, antidiabetic, antimicrobial, anti-inflammatory, and anti-biofilm properties of Silybum marianum (S. marianum) L. Gaertn. acetic acid extract, complemented by phytochemical profiling and molecular docking. The extract of S. marianum exhibited strong multifunctional bioactivity supported by in vitro and in silico analyses. Antioxidant evaluation (DPPH, ABTS, FRAP) revealed dose-dependent radical scavenging, achieving up to 92.5% inhibition at 1000 µg/mL and a high ferric-reducing capacity (105.6 µM Fe²⁺ equivalents). The extract significantly inhibited α-amylase and α-glucosidase, confirming its antidiabetic potential. In antimicrobial assays, notable activity was observed against Bacillus subtilis (15.2 mm) and Staphylococcus aureus (14.6 mm), with moderate effects on Gram-negative and fungal strains. The extract also showed over 85% inhibition of S. aureus biofilm formation, suggesting interference with quorum sensing and EPS matrix synthesis. Anti-inflammatory assays demonstrated up to 91.2% inhibition of protein denaturation and 86.7% red blood cell membrane stabilization, comparable to indomethacin. Macrophage-based cellular studies confirmed suppression of nitric oxide and pro-inflammatory cytokines (TNF-α, IL-6, IL-1β) with > 85% cell viability. GC–MS analysis identified major bioactives including D-arabinitol, chalcone derivatives, and isoquinoline compounds, which were strongly bound to key targets in docking studies—α-amylase, DNA gyrase, COX-2, and NADPH oxidase (binding energies − 9.0 to − 9.9 kcal/mol). These results collectively highlight S. marianum as a biocompatible source of multifunctional phytochemicals with antioxidant, antidiabetic, antimicrobial, anti-inflammatory, and anti-biofilm properties, supporting its potential for nutraceutical and therapeutic applications.