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探索颤藻属衍生代谢产物的抗菌、抗氧化、细胞毒性潜力及其与雌激素受体-α的分子对接

Exploring Antibacterial, Antioxidant, Cytotoxic Potential of Oscillatoria sp.-Derived Metabolites and Their Molecular Docking with Estrogen Receptor-α.

作者信息

Sigamani Santhosh, Govindasamy Balasubramani, Panneerselvam Balashanmugam, Kannupaiyan Jothimani, Magudeeswaran Sivanandam, Ramamurthy Dhandapani, Natarajan Hemalatha

机构信息

Center for Pharmaceutical Biotechnology, School of Medicine and Pharmacy, Duy Tan University, Da Nang, 550000, Vietnam.

Department of Product Development, Institute of Biotechnology, SIMATS Engineering, Saveetha Institute of Medical and Technical Sciences (SIMATS), Thandalam, 602105, Tamil Nadu, India.

出版信息

Appl Biochem Biotechnol. 2025 May 6. doi: 10.1007/s12010-025-05246-9.

DOI:10.1007/s12010-025-05246-9
PMID:40327310
Abstract

Anthropogenic activities have led to the accumulation of carcinogenic toxicants in the food chain, posing severe risks to both human and animal health. Bioactive molecules derived from terrestrial and aquatic systems offer promising solutions to various health challenges. Presently, the cyanobacterial metabolites from ethyl acetate extract of Oscillatoria sp. (EAEOs) were evaluated for its antiproliferative, antioxidant, and antimicrobial effects. The EAEOs resulted significant antibacterial zones (12 ± 2.5, 17 ± 1.7, 14 ± 0.3, and 14 ± 2.6 mm) on Staphylococcus aureus, Escherichia coli, Bacillus subtilis, and Bacillus cereus, respectively. EAEOs also exhibited free radical scavenging activity with IC values of 69.68 µg/mL (DPPH) and 144.4 µg/mL (hydroxyl radicals). Followed by, the EAEOs also exhibited significant inhibition of MCF-7 breast cancer cells (IC50: 54.25 µg/mL) compared to HepG2 and A549 cells (72.6 and 85.6 µg/mL), respectively The EAEOs induced apoptosis and chromosomal damage on targeted cancer cells, and their DNA fragmentation were evidenced. Totally, 17 compounds from EAEOs were identified from GC-MS, in which 2-cyclopenten-1-one, 2-hydroxy-3-methyl (23); piperidine, 1, 4-dimethyl (13); 17-pentatriacontene (7.88); and 3-octadecene (7.09%) are major ones. Molecular docking confirmed that acetamide, n-(2-benzoyl-4chlorophenyl)-2-(2-methylpiperidin-1-yl)- (compound-3) showed strong binding affinity (10.13 kcal/mol) with ERα. Overall, the biological potential of Oscillatoria metabolites were found to be significant. Hence, further screening of preponderant compounds and studying the mechanism are warranted to fulfill their applications in food, pharmaceuticals, and other industries.

摘要

人为活动已导致致癌毒物在食物链中积累,对人类和动物健康构成严重风险。来自陆地和水生系统的生物活性分子为应对各种健康挑战提供了有前景的解决方案。目前,对颤藻属物种乙酸乙酯提取物中的蓝藻代谢产物(EAEOs)的抗增殖、抗氧化和抗菌作用进行了评估。EAEOs分别对金黄色葡萄球菌、大肠杆菌、枯草芽孢杆菌和蜡样芽孢杆菌产生了显著的抑菌圈(12±2.5、17±1.7、14±0.3和14±2.6毫米)。EAEOs还表现出自由基清除活性,其IC值分别为69.68微克/毫升(DPPH)和144.4微克/毫升(羟基自由基)。其次,与HepG2和A549细胞(分别为72.6和85.6微克/毫升)相比,EAEOs对MCF-7乳腺癌细胞也表现出显著抑制作用(IC50:54.25微克/毫升)。EAEOs诱导靶向癌细胞凋亡和染色体损伤,并证实了其DNA片段化。通过气相色谱-质谱联用(GC-MS)共鉴定出EAEOs中的17种化合物,其中2-环戊烯-1-酮,2-羟基-3-甲基(23%);哌啶,1,4-二甲基(13%);17-三十五碳烯(7.88%);以及3-十八碳烯(7.09%)为主要成分。分子对接证实,N-(2-苯甲酰基-4-氯苯基)-2-(2-甲基哌啶-1-基)乙酰胺(化合物-3)与雌激素受体α(ERα)表现出很强的结合亲和力(10.13千卡/摩尔)。总体而言,发现颤藻代谢产物具有显著的生物学潜力。因此,有必要进一步筛选优势化合物并研究其作用机制,以实现它们在食品、制药和其他行业中的应用。

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