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<p>Current treatment methods face significant challenges due to the rise of multidrug-resistant <i>Staphylococcus aureus</i> (MRSA) and its association with biofilm-related diseases. Biofilms cause chronic infections by increasing bacterial resistance to antibiotics and disrupting immune responses. This study investigates the antibacterial and anti-biofilm potential of microbial isolates through both qualitative and quantitative methods. Ten bacterial isolates were obtained from a geothermal hot spring. Among these, the isolate, <i>Streptomyces</i> sp. VITARB2 showed notable bioactivity. Further analysis was conducted to identify the bioactive metabolites produced by VITARB2. Notably, geothermal hot springs are known to host diverse microbial communities, with <i>Streptomyces</i> species recognized for producing strong antimicrobial and anti-biofilm agents. In vitro tests and computational methods were used to assess the antibacterial and anti-biofilm activities of these compounds. Molecular docking studies explored the interaction between the bioactive compound 1,4-Epoxynaphthalene-1(2&#xa0;H)-methanol and SarA protein, a key regulator of biofilm formation in <i>S. aureus.</i> The results indicated that these compounds have potent antibacterial and anti-biofilm effects, with a binding affinity of -4.56 for SarA, compared to -4.20 for gentamicin, highlighting their potential as new therapeutic agents against <i>S. aureus</i> infections. This combined laboratory and computational approach underscores the role of hot spring-derived actinomycetes in developing innovative treatments targeting biofilm-related diseases.</p> Graphical Abstract <p></p>

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Computational Analysis and in Vitro Evaluation of Antimicrobial Compounds from Hot Spring Streptomyces sp. VITARB2 inhibiting Biofilm Formation: a Molecular Docking Approach

  • 期刊论文

  • 发表日期：

    2026年2月18日

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  • Aparana Kumari,
  • Sriya Das,
  • Shatakshi Mishra,
  • Kokati Venkata Bhaskara Rao

摘要

Current treatment methods face significant challenges due to the rise of multidrug-resistant Staphylococcus aureus (MRSA) and its association with biofilm-related diseases. Biofilms cause chronic infections by increasing bacterial resistance to antibiotics and disrupting immune responses. This study investigates the antibacterial and anti-biofilm potential of microbial isolates through both qualitative and quantitative methods. Ten bacterial isolates were obtained from a geothermal hot spring. Among these, the isolate, Streptomyces sp. VITARB2 showed notable bioactivity. Further analysis was conducted to identify the bioactive metabolites produced by VITARB2. Notably, geothermal hot springs are known to host diverse microbial communities, with Streptomyces species recognized for producing strong antimicrobial and anti-biofilm agents. In vitro tests and computational methods were used to assess the antibacterial and anti-biofilm activities of these compounds. Molecular docking studies explored the interaction between the bioactive compound 1,4-Epoxynaphthalene-1(2 H)-methanol and SarA protein, a key regulator of biofilm formation in S. aureus. The results indicated that these compounds have potent antibacterial and anti-biofilm effects, with a binding affinity of -4.56 for SarA, compared to -4.20 for gentamicin, highlighting their potential as new therapeutic agents against S. aureus infections. This combined laboratory and computational approach underscores the role of hot spring-derived actinomycetes in developing innovative treatments targeting biofilm-related diseases.

Graphical Abstract