Monitoring, antimicrobial activity evaluation, and molecular docking studies of chemical composition of various plant species to identify an inhibitory drug for Clostridium perfringens bacteria isolated from drinking water resources in Ardabil provin

In this study, both the in vitro antimicrobial activity of plant essential oils and their active ingredients and their molecular docking properties are evaluated and a comprehensive understanding of their potential as therapeutic agents is provided. The study findings revealed that the bacterium C. perfringens was detected in 32.5 % of the drinking water sources. Regarding MIC, the essential oils of thymus, hypericum perforatum, zingiber officinale, foeniculum vulgare, and malva were identified at concentrations of 20 %, 35 %, 25 %, 20 %, and 30 %, respectively, for combating C. perfringens. In terms of MBC, the essential oils of thymus, hypericum perforatum, zingiber officinale, foeniculum vulgare, and malva at concentrations of 25 %, 45 %, 35 %, 30 %, and 40 % respectively, were found to deactivate the bacterium. Based on the results of the antimicrobial activity assessment, molecular docking studies, and evaluation of physicochemical properties, it can be inferred that the compounds from the essential oils of thymus (including linalool and thymol), foeniculum vulgare (including anethole), and zingiber officinale (including zingerone) could be promising candidates for inhibiting C. perfringens compared to the reference drugs metronidazole and ciprofloxacin. On the other hand, molecular docking studies show that the active ingredients anethole, zingerone, thymol and linalool with more potent binding energy than the reference drug metronidazole show better activity against C. perfringens bacteria, which is consistent with the results of antimicrobial activity.