柑桔果皮中化合物抑菌抗氧化活性及硅分子对接研究

Raey Yohanes, Milkyas ENDALE ANNİSA, Dr Teshome Geremew, Tarekegn Tafese
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引用次数: 0

摘要

耐药性的日益流行、现有抗生素的不良副作用以及先前已知感染的死灰复燃,都需要寻找新的、安全有效的抗菌药物。用乙醇浸渍法和超声波辅助提取法提取了300克柑橘皮,产量分别为20.99克和11.5克(7%,7.5%)。乙醇提取物的硅胶柱色谱分离产生N-(1,3,4,5-四羟基癸-2-基)辛酰胺(1)、癸酸(2)、β-谷甾醇-3-O-β-D-吡喃葡糖苷衍生物(3)和(z)-十四碳-7-烯酸乙酯(4)。GC-MS分析检测到7种化学成分,占总成分的99.84%,其中柠檬烯是主要成分(87.5%)。体外抗菌试验显示,乙醇提取物(12.67±0.58mm,150mg/mL)、化合物4(15.67±2.88mm,6mg/mL),和化合物1(12.00±0.00 mm,6 mg/mL)分别对抗粪大肠杆菌、鼠伤寒沙门氏菌和铜绿假单胞菌,而庆大霉素(13.00±1.73 mm,18.00±1.00 mm,16.67±1.15 mm,10µg/mL)。DPPH自由基清除活性表明,与抗坏血酸的0.016mg/mL相比,化合物1表现出0.05mg/mL的IC50值。在计算机分子对接研究中显示,化合物1和3分别对大肠杆菌DNA聚合酶B酶、人过氧化物酶5和金黄色葡萄球菌丙酮酸激酶具有最低的评分。这些发现支持了柑橘皮在治疗传染病方面的传统应用,特别是针对革兰氏阳性菌株,并突出了它们在化妆品中作为抗菌成分的潜在用途。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Antibacterial and antioxidant activity of compounds from Citrus sinensis peels and in silico molecular docking study
The increasing prevalence of drug resistance, adverse side effects of existing antibiotics, and the resurgence of previously known infections have necessitated the search for new, safe, and effective antimicrobial agents. The peels of Citrus sinensis (300 g) were extracted using maceration and ultrasonic-assisted extraction methods with ethanol, resulting in yields of 20.99 g and 11.5 g (7%, 7.5%), respectively. Silica gel column chromatographic separation of the ethanol extract yielded N-(1,3,4,5-tetrahydroxydecan-2-y1)octanamide (1), decanoic acid (2), β-sitosterol-3-O-β-D-glucopyranoside derivative (3), and (z)-ethyl tetradec-7-enoate (4). GC-MS analysis of the essential oil detected 7 chemical components accounting for 99.84% of the total composition of which limonene was found to be the predominant constituent (87.5%). In vitro antibacterial tests revealed promising zones of inhibition by ethanol extract (12.67±0.58 mm, at 150 mg/mL), compound 4 (15.67±2.88 mm, at 6 mg/mL), and compound 1 (12.00±0.00 mm, at 6 mg/mL) against E. faecalis, S. typhimurium, and P. aeruginosa, respectively, compared to gentamicin (13.00±1.73 mm, 18.00±1.00 mm, and 16.67±1.15 mm, respectively at 10 µg/mL). DPPH radical scavenging activity indicated that compound 1 exhibited an IC50 value of 0.05 mg/mL, compared to ascorbic acid's 0.016 mg/mL. In silico molecular docking studies revealed that compounds 1 and 3 had the lowest scoring poses against E. coli DNA gyrase B enzyme, human peroxiredoxin 5, and S. aureus pyruvate kinase, respectively. These findings support traditional applications of Citrus peels in treating infectious diseases, particularly against Gram-positive strains, and highlight their potential use as antibacterial ingredients in cosmetics.
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来源期刊
International Journal of Secondary Metabolite
International Journal of Secondary Metabolite Biochemistry, Genetics and Molecular Biology-Biotechnology
CiteScore
1.40
自引率
0.00%
发文量
28
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