{"title":"On the potential activity of hyaluronic acid as an antimicrobial agent: experimental and computational validations.","authors":"Priya Shukla, Pradeep Srivastava, Abha Mishra","doi":"10.1007/s00449-024-03091-4","DOIUrl":null,"url":null,"abstract":"<p><p>This century has seen the rise of antibiotic resistance as a significant public health problem. In addition, oxidative stress may also be a factor in selecting resistant strains of bacteria. The current study analyzed microbially produced hyaluronic acid's antibacterial activity and antioxidant activity. It had significant antibacterial action against strains of Staphylococcus aureus and Escherichia coli, with the IC<sub>50</sub> value obtained being 487.65 µg mL<sup>-1</sup> for antioxidant assay. Our molecular docking investigations of hyaluronic acid on tyrosyl-tRNA synthetase (Staphylococcus aureus: -6.13 kcal/mol, Escherichia coli: -5.79 kcal/mol) and topoisomerase II DNA gyrase (Staphylococcus aureus: -5.02 kcal/mol, Escherichia coli: -4.90 kcal/mol) confirmed the ligands' possible binding mode to the appropriate targets' sites. We also employed molecular dynamics simulation and showed that HA binds more strongly with 1JIL (-85.455 ± 12.623 kJ/mol) compared to 2YXN (-49.907 ± 64.191 kJ/mol), 5CDP (-47.285 ± 13.925 kJ/mol), and 6RKS (-45.306 ± 21.338 kJ/mol). We also report that the ligand forms several hydrogen bonds in molecular simulation, implying regular interaction with key residues of the enzymes. The results in this study indicate the potential use of HA in the vast field of applications having both asthetic and medicinal values.</p>","PeriodicalId":9024,"journal":{"name":"Bioprocess and Biosystems Engineering","volume":" ","pages":""},"PeriodicalIF":3.5000,"publicationDate":"2024-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Bioprocess and Biosystems Engineering","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.1007/s00449-024-03091-4","RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"BIOTECHNOLOGY & APPLIED MICROBIOLOGY","Score":null,"Total":0}
引用次数: 0
Abstract
This century has seen the rise of antibiotic resistance as a significant public health problem. In addition, oxidative stress may also be a factor in selecting resistant strains of bacteria. The current study analyzed microbially produced hyaluronic acid's antibacterial activity and antioxidant activity. It had significant antibacterial action against strains of Staphylococcus aureus and Escherichia coli, with the IC50 value obtained being 487.65 µg mL-1 for antioxidant assay. Our molecular docking investigations of hyaluronic acid on tyrosyl-tRNA synthetase (Staphylococcus aureus: -6.13 kcal/mol, Escherichia coli: -5.79 kcal/mol) and topoisomerase II DNA gyrase (Staphylococcus aureus: -5.02 kcal/mol, Escherichia coli: -4.90 kcal/mol) confirmed the ligands' possible binding mode to the appropriate targets' sites. We also employed molecular dynamics simulation and showed that HA binds more strongly with 1JIL (-85.455 ± 12.623 kJ/mol) compared to 2YXN (-49.907 ± 64.191 kJ/mol), 5CDP (-47.285 ± 13.925 kJ/mol), and 6RKS (-45.306 ± 21.338 kJ/mol). We also report that the ligand forms several hydrogen bonds in molecular simulation, implying regular interaction with key residues of the enzymes. The results in this study indicate the potential use of HA in the vast field of applications having both asthetic and medicinal values.
期刊介绍：
Bioprocess and Biosystems Engineering provides an international peer-reviewed forum to facilitate the discussion between engineering and biological science to find efficient solutions in the development and improvement of bioprocesses. The aim of the journal is to focus more attention on the multidisciplinary approaches for integrative bioprocess design. Of special interest are the rational manipulation of biosystems through metabolic engineering techniques to provide new biocatalysts as well as the model based design of bioprocesses (up-stream processing, bioreactor operation and downstream processing) that will lead to new and sustainable production processes.
Contributions are targeted at new approaches for rational and evolutive design of cellular systems by taking into account the environment and constraints of technical production processes, integration of recombinant technology and process design, as well as new hybrid intersections such as bioinformatics and process systems engineering. Manuscripts concerning the design, simulation, experimental validation, control, and economic as well as ecological evaluation of novel processes using biosystems or parts thereof (e.g., enzymes, microorganisms, mammalian cells, plant cells, or tissue), their related products, or technical devices are also encouraged.
The Editors will consider papers for publication based on novelty, their impact on biotechnological production and their contribution to the advancement of bioprocess and biosystems engineering science. Submission of papers dealing with routine aspects of bioprocess engineering (e.g., routine application of established methodologies, and description of established equipment) are discouraged.
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