Bioactive potential of Origanum munzurense Kit Tan & Sorger Extracts: Antioxidant, anticancer, and antibacterial activities explored through Sc-CO2 extraction and molecular docking analysis

IF 2.8 3区医学 Q2 BIOCHEMICAL RESEARCH METHODS

Journal of Chromatography B Pub Date : 2025-04-26 DOI:10.1016/j.jchromb.2025.124614

Metin Yildirim , Adem Necip , Mehmet Cimentepe , Zuhal Emire , Erdal Yabalak

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Abstract

Origanum munzurense Kit Tan & Sorger (O. munzurense), an endemic plant species from Turkey's Munzur Mountains, is a member of the Lamiaceae family known for its limited distribution and promising medicinal and aromatic properties. This species is not only integral to the local ecosystem but also holds significant potential for pharmaceutical and flavoring applications due to its rich chemical profile. Investigating its therapeutic benefits and exploring its scientific and industrial applications is therefore crucial. This study utilized supercritical carbon dioxide (Sc-CO₂) extraction to obtain extracts of O. munzurense under two pressure conditions, 100 bars (O₁₀₀) and 200 bars (O₂₀₀). The chemical compositions of the extracts were characterized using LC-MS/MS. Biological assessments revealed notable anticancer activity against MDA-MB-231 breast cancer cells and antibacterial effects against S. aureus, E. faecalis, P. aeruginosa, and E. coli. Additionally, molecular docking analysis was performed for key bioactive compounds, including luteolin, fumaric acid, myricetin, quercetin, and 2-hydroxycinnamic acid. These findings underscore the therapeutic potential of O. munzurense and support its further exploration for pharmaceutical and industrial applications. The Sc-CO₂ extracts (O₁₀₀ and O₂₀₀) of O. munzurense showed distinct compositions, with the O₁₀₀ extract demonstrating superior anticancer activity compared to O₂₀₀. Both extracts exhibited potent antibacterial activity against the tested strains. Pressure-dependent variations in composition led to differing antioxidant and anticancer activities; the O100 extract demonstrated higher bioactivity than O200. Myricetin showed the highest binding affinity (−8.215 kcal/mol) against protein 6QXS among Luteolin, Fumaric acid, Quercetin, and 2-Hydroxycinnamic Acid across proteins 3G7B, 6QXS, and 2UV0.

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通过Sc-CO2提取和分子对接分析，探讨了牛萃提取物的抗氧化、抗癌和抗菌活性

紫竹& &；高粱（O. munzurense）是土耳其蒙祖尔山脉的一种特有植物，是Lamiaceae家族的一员，以其有限的分布和有前途的药用和芳香特性而闻名。该物种不仅是当地生态系统的组成部分，而且由于其丰富的化学成分，在制药和调味应用方面具有巨大的潜力。因此，研究其治疗益处并探索其科学和工业应用至关重要。本研究采用超临界二氧化碳（Sc-CO2）萃取法，在100 bar （O100）和200 bar （O200）两种压力条件下，获得蒙花草提取物。采用LC-MS/MS对提取物的化学成分进行了表征。生物学评估显示，对MDA-MB-231乳腺癌细胞具有显著的抗癌活性，对金黄色葡萄球菌、粪孢杆菌、铜绿假单胞菌和大肠杆菌具有抗菌作用。此外，对关键生物活性化合物木犀草素、富马酸、杨梅素、槲皮素和2-羟基肉桂酸进行了分子对接分析。这些发现强调了O. munzurense的治疗潜力，并支持其进一步探索制药和工业应用。赤莲Sc-CO2提取物（O100和O200）的成分不同，其中O100提取物的抗癌活性优于O200。两种提取物均表现出较强的抑菌活性。压力相关的成分变化导致不同的抗氧化和抗癌活性；O100提取物的生物活性高于O200。在木犀草素、富马酸、槲皮素和2-羟基肉桂酸蛋白3G7B、6QXS和2UV0中，杨梅素对蛋白6QXS的结合亲和力最高（−8.215 kcal/mol）。

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来源期刊

Journal of Chromatography B 医学-分析化学

CiteScore

5.60

自引率

3.30%

发文量

306

审稿时长

44 days

期刊介绍： The Journal of Chromatography B publishes papers on developments in separation science relevant to biology and biomedical research including both fundamental advances and applications. Analytical techniques which may be considered include the various facets of chromatography, electrophoresis and related methods, affinity and immunoaffinity-based methodologies, hyphenated and other multi-dimensional techniques, and microanalytical approaches. The journal also considers articles reporting developments in sample preparation, detection techniques including mass spectrometry, and data handling and analysis. Developments related to preparative separations for the isolation and purification of components of biological systems may be published, including chromatographic and electrophoretic methods, affinity separations, field flow fractionation and other preparative approaches. Applications to the analysis of biological systems and samples will be considered when the analytical science contains a significant element of novelty, e.g. a new approach to the separation of a compound, novel combination of analytical techniques, or significantly improved analytical performance.