Erdi Can Aytar , Betül Aydın , Emine Incilay Torunoğlu , Alper Durmaz
{"title":"Antimicrobial activity and molecular docking analysis of Salsola kali: investigating potent biological interactions and chemical composition","authors":"Erdi Can Aytar , Betül Aydın , Emine Incilay Torunoğlu , Alper Durmaz","doi":"10.1016/j.hermed.2024.100942","DOIUrl":null,"url":null,"abstract":"<div><h3>Introduction</h3><div>This study investigates the antioxidant, phenolic, and antimicrobial properties of Salsola kali and examines the molecular binding interactions of its biologically active compounds with various proteins.</div></div><div><h3>Methods</h3><div>Ethanol extract from the aerial parts of <em>Salsola kali</em> was analyzed for DPPH free radical scavenging activity, iron chelating activity, total phenolic content, and total flavonoid content. Antimicrobial activity was tested against several bacterial strains, and the active components of the extract were identified through chemical analysis. Molecular docking studies assessed the binding interactions of these compounds with different protein targets.</div></div><div><h3>Results</h3><div>The ethanol extract exhibited strong antioxidant activity, with a DPPH IC<sub>50</sub> value of 0.12 ± 0.02 μg/mL and an iron chelating IC<sub>50</sub> value of 3.96 ± 0.19 mg/ml. The total phenolic content was measured at 153.61 ± 5.41 mg GAE/g extract, while the total flavonoid content was 303.25 ± 12.68 mg QE/g extract. Significant antimicrobial activity was observed against <em>E. coli</em> (MIC = 25 μg/ml) and <em>S. aureus</em> (MIC = 6.25 μg/ml). The analysis identified 15 biologically active compounds, with 2-methoxy-1,3-dioxolane and Nonane, 3-methyl-5-propyl as the most abundant. Molecular docking studies revealed strong binding affinities with various proteins, with binding energies ranging from -4.9 to -6.7 kcal/mol.</div></div><div><h3>Conclusion</h3><div>The phenolic and flavonoid content of <em>S. kali</em> indicates significant antioxidant and antimicrobial activities. The identified compounds show promising binding interactions with proteins, suggesting potential pharmacological applications.</div></div>","PeriodicalId":56077,"journal":{"name":"Journal of Herbal Medicine","volume":"48 ","pages":"Article 100942"},"PeriodicalIF":2.2000,"publicationDate":"2024-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Herbal Medicine","FirstCategoryId":"3","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S221080332400099X","RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"INTEGRATIVE & COMPLEMENTARY MEDICINE","Score":null,"Total":0}
引用次数: 0
Abstract
Introduction
This study investigates the antioxidant, phenolic, and antimicrobial properties of Salsola kali and examines the molecular binding interactions of its biologically active compounds with various proteins.
Methods
Ethanol extract from the aerial parts of Salsola kali was analyzed for DPPH free radical scavenging activity, iron chelating activity, total phenolic content, and total flavonoid content. Antimicrobial activity was tested against several bacterial strains, and the active components of the extract were identified through chemical analysis. Molecular docking studies assessed the binding interactions of these compounds with different protein targets.
Results
The ethanol extract exhibited strong antioxidant activity, with a DPPH IC50 value of 0.12 ± 0.02 μg/mL and an iron chelating IC50 value of 3.96 ± 0.19 mg/ml. The total phenolic content was measured at 153.61 ± 5.41 mg GAE/g extract, while the total flavonoid content was 303.25 ± 12.68 mg QE/g extract. Significant antimicrobial activity was observed against E. coli (MIC = 25 μg/ml) and S. aureus (MIC = 6.25 μg/ml). The analysis identified 15 biologically active compounds, with 2-methoxy-1,3-dioxolane and Nonane, 3-methyl-5-propyl as the most abundant. Molecular docking studies revealed strong binding affinities with various proteins, with binding energies ranging from -4.9 to -6.7 kcal/mol.
Conclusion
The phenolic and flavonoid content of S. kali indicates significant antioxidant and antimicrobial activities. The identified compounds show promising binding interactions with proteins, suggesting potential pharmacological applications.
期刊介绍:
The Journal of Herbal Medicine, the official journal of the National Institute of Medical Herbalists, is a peer reviewed journal which aims to serve its readers as an authoritative resource on the profession and practice of herbal medicine. The content areas of the journal reflect the interests of Medical Herbalists and other health professionals interested in the clinical and professional application of botanical medicines. The objective is to strengthen the research and educational base of herbal medicine with research papers in the form of case studies, original research articles and reviews, monographs, clinical trials and relevant in vitro studies. It also publishes policy statements, opinion pieces, book reviews, conference proceedings and profession related information such as pharmacovigilance reports providing an information source for not only the Herbal Practitioner but any Health professional with an interest in phytotherapy.