DOI: 10.6084/m9.figshare.28332422
title: A phytotherapeutic approach to hinder the resistance against clindamycin by MRSA: <i>in vitro</i> and <i>in silico</i> studies

description: This study investigates the potential effects of essential oils (EOs) in enhancing the efficacy of clindamycin against Methicillin-resistant <i>Staphylococcus aureus</i> (MRSA) using <i>in vitro</i> and computer simulations. The research seeks to identify essential oils that exhibit synergistic activity with clindamycin and determine their potential key active components. Essential oils commonly used in traditional medicine were tested for their antimicrobial activity against MRSA. The minimum inhibitory concentration (MIC) was determined using <i>in vitro</i> microdilution assays. A synergistic test with clindamycin was performed, and molecular docking studies evaluated the interaction between a key compound (<i>trans</i>-cinnamaldehyde) and MRSA protein. EOs from <i>Cinnamomum verum</i>, <i>Rosmarinus officinalis</i>, <i>Salvia officinalis</i>, and <i>Thymus vulgaris</i> demonstrated significant inhibitory and synergistic activities against MRSA, standard strain, and human clinical isolates. Gas Chromatography/Mass Spectroscopy identified <i>trans</i>-cinnamaldehyde, eucalyptol, and thymol as prominent antibacterial compounds. Molecular docking studies confirmed <i>trans</i>-cinnamaldehyde’s strong binding to MRSA’s AgrA protein, elucidating its enhanced efficacy. The study underscores the potential of plant-based therapies to augment the effectiveness of conventional antibiotics like clindamycin in combating MRSA and addressing antibiotic resistance by integrating traditional plant remedies with modern medical approaches. This study examined how essential oils from cinnamon, rosemary, sage, and thyme work together with clindamycin to fight Methicillin-resistant <i>Staphylococcus aureus</i> (MRSA). These EOs were tested in the lab and using computer models. Results showed that the oils can inhibit MRSA, especially trans-cinnamaldehyde, eucalyptol, and thymol. Computer models confirmed that <i>trans</i>-cinnamaldehyde binds well to MRSA proteins, suggesting how it enhances antibiotic effects. The study suggests that using these plant oils alongside antibiotics like clindamycin could be a promising way to treat MRSA infections and combat antibiotic resistance. This study investigates the combined effects of selected essential oils (EOs) and clindamycin against Methicillin-resistant <i>Staphylococcus aureus</i> (MRSA) using both <i>in vitro</i> and <i>in silico</i> methods.The study evaluates the antimicrobial effects of essential oils (EOs) obtained from <i>Cinnamomum verum</i>, <i>Rosmarinus officinalis</i>, <i>Salvia officinalis</i>, and <i>Thymus vulgaris</i>.Our findings revealed noteworthy inhibitory and synergistic activities of these EOs against MRSA, including the ATCC 43300 strain and a human clinical isolate.Phytoconstituents with well-known antibacterial activity were detected and identified through Gas Chromatography/Mass Spectroscopy (GC/MS) analysis.The compounds with the highest abundance are <i>trans</i>-cinnamaldehyde, eucalyptol, and thymol.The molecular docking studies have confirmed the preferential binding of <i>trans</i>-cinnamaldehyde to the AgrA protein of MRSA.This provides valuable insights into the mechanistic basis of the observed synergy.This study provides evidence for the effectiveness of plant-based therapeutic agents, specifically chosen essential oils, in improving the efficacy of commonly used antibiotics such as clindamycin.This offers a practical approach to addressing the issue of antibiotic resistance in MRSA infections.The results of this study support the idea of combining traditional plant-based remedies with modern medical approaches, which might lead to the development of new antimicrobial treatments in the future. This study investigates the combined effects of selected essential oils (EOs) and clindamycin against Methicillin-resistant <i>Staphylococcus aureus</i> (MRSA) using both <i>in vitro</i> and <i>in silico</i> methods. The study evaluates the antimicrobial effects of essential oils (EOs) obtained from <i>Cinnamomum verum</i>, <i>Rosmarinus officinalis</i>, <i>Salvia officinalis</i>, and <i>Thymus vulgaris</i>. Our findings revealed noteworthy inhibitory and synergistic activities of these EOs against MRSA, including the ATCC 43300 strain and a human clinical isolate. Phytoconstituents with well-known antibacterial activity were detected and identified through Gas Chromatography/Mass Spectroscopy (GC/MS) analysis. The compounds with the highest abundance are <i>trans</i>-cinnamaldehyde, eucalyptol, and thymol. The molecular docking studies have confirmed the preferential binding of <i>trans</i>-cinnamaldehyde to the AgrA protein of MRSA. This provides valuable insights into the mechanistic basis of the observed synergy. This study provides evidence for the effectiveness of plant-based therapeutic agents, specifically chosen essential oils, in improving the efficacy of commonly used antibiotics such as clindamycin. This offers a practical approach to addressing the issue of antibiotic resistance in MRSA infections. The results of this study support the idea of combining traditional plant-based remedies with modern medical approaches, which might lead to the development of new antimicrobial treatments in the future.