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<p>Conventional germicidal products often contain hazardous chemicals that pose risks to human health and the environment and can contribute to the development of resistance. Plant bioactive compounds offer a greener alternative. Although there are numerous studies on the antibacterial activity of plant extracts, research on <i>in silico</i> analysis of plant bioactive compounds targeting bacterial proteins is less common. This research aimed to explore the antimicrobial potential of <i>Salvia rosmarinus</i> and <i>Hibiscus rosa sinensis</i> x L. through both <i>in vitro</i> and <i>in silico</i> analysis for integration into germicidal products. Both samples displayed promising antibacterial properties. Among the identified bioactive compounds, Tricyclo[20.8.0.0(7,16)]triacontane,1(22),7(16)-diepoxy from rosemary, and 1,3-Diphenyl-1,2-butanediol from hibiscus exhibited the strongest negative binding energies against target proteins. Tricyclo[20.8.0.0(7,16)] triacontane,1(22),7(16)-diepoxy achieved a docking score of -11&#xa0;kcal/mol against <i>S.aureus</i> protein, while 1,3-Diphenyl-1,2-butanediol scored − 7.5&#xa0;kcal/mol against <i>K. pneumoniae</i> protein. Both <i>in vitro</i> and <i>in silico</i> findings confirm the significant antimicrobial activity of rosemary and hibiscus extracts due to their bioactive compounds, indicating their promise for inclusion in germicidal products.</p>

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Exploring antimicrobial potency and in silico analysis of rosemary and hibiscus bioactive compounds to be used in germicidal product

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年8月30日

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  • Vaishnavi Shedge,
  • Seema Sambrani

摘要

Conventional germicidal products often contain hazardous chemicals that pose risks to human health and the environment and can contribute to the development of resistance. Plant bioactive compounds offer a greener alternative. Although there are numerous studies on the antibacterial activity of plant extracts, research on in silico analysis of plant bioactive compounds targeting bacterial proteins is less common. This research aimed to explore the antimicrobial potential of Salvia rosmarinus and Hibiscus rosa sinensis x L. through both in vitro and in silico analysis for integration into germicidal products. Both samples displayed promising antibacterial properties. Among the identified bioactive compounds, Tricyclo[20.8.0.0(7,16)]triacontane,1(22),7(16)-diepoxy from rosemary, and 1,3-Diphenyl-1,2-butanediol from hibiscus exhibited the strongest negative binding energies against target proteins. Tricyclo[20.8.0.0(7,16)] triacontane,1(22),7(16)-diepoxy achieved a docking score of -11 kcal/mol against S.aureus protein, while 1,3-Diphenyl-1,2-butanediol scored − 7.5 kcal/mol against K. pneumoniae protein. Both in vitro and in silico findings confirm the significant antimicrobial activity of rosemary and hibiscus extracts due to their bioactive compounds, indicating their promise for inclusion in germicidal products.