Department of Microbiology, Faculty of Biological Sciences, Quaid-I-Azam University, Islamabad, 45320, Pakistan.
Department of Biological Sciences, National University of Medical Sciences, Rawalpindi, 46000, Pakistan.
Appl Biochem Biotechnol. 2023 Aug;195(8):4915-4935. doi: 10.1007/s12010-023-04517-7. Epub 2023 Apr 28.
This study aims to determine UV-B resistance and to investigate computational analysis and antioxidant potential of methoxy-flavones of Micromonospora aurantiaca TMC-15 isolated from Thal Desert, Pakistan. The cellular extract was purified through solid-phase extraction and UV-Vis spectrum analysis indicated absorption peaks at λ 250 nm, 343 nm, and 380 nm that revealed the presence of methoxy-flavones named eupatilin and 5-hydroxyauranetin. The flavones were evaluated for their antioxidant as well as protein and lipid peroxidation inhibition potential using di(phenyl)-(2,4,6-trinitrophenyl) iminoazanium (DPPH), 2,4-dinitrophenyl hydrazine (DNPH), and thiobarbituric acid reactive substances (TBARS) assays, respectively. The methoxy-flavones were further studied for their docking affinity and interaction dynamics to determine their structural and energetic properties at the atomic level. The antioxidant potential, protein, and lipid oxidation inhibition and DNA damage preventive abilities were correlated as predicted by computational analysis. The eupatilin and 5-hydroxyauranetin binding potential to their targeted proteins 1N8Q and 1OG5 is - 4.1 and - 7.5 kcal/mol, respectively. Moreover, the eupatiline and 5-hydroxyauranetin complexes illustrate van der Waals contacts and strong hydrogen bonds to their respective enzymes target. Both in vitro studies and computational analysis results revealed that methoxy-flavones of Micromonospora aurantiaca TMC-15 can be used against radiation-mediated oxidative damages due to its kosmotrophic nature. The demonstration of good antioxidant activities not only protect DNA but also protein and lipid oxidation and therefore could be a good candidate in radioprotective drugs and as sunscreen due to its kosmotropic nature.
本研究旨在确定 UV-B 抗性，并对从巴基斯坦塔尔沙漠中分离出的橙色小单孢菌（Micromonospora aurantiaca TMC-15）的甲氧基黄酮进行计算分析和抗氧化潜力研究。细胞提取物通过固相萃取进行纯化，紫外可见光谱分析显示在 λ 250nm、343nm 和 380nm 处有吸收峰，表明存在甲氧基黄酮，分别命名为芹黄素和 5-羟基芫花素。使用二（苯基）-（2,4,6-三硝基苯基）亚氨基脒（DPPH）、2,4-二硝基苯肼（DNPH）和硫代巴比妥酸反应物质（TBARS）测定法，分别评估了黄酮类化合物的抗氧化以及蛋白质和脂质过氧化抑制潜力。进一步研究了甲氧基黄酮的对接亲和力和相互作用动力学，以确定它们在原子水平上的结构和能量特性。抗氧化潜力、蛋白质和脂质氧化抑制以及 DNA 损伤预防能力与计算分析预测的结果相关。芹黄素和 5-羟基芫花素与它们的靶蛋白 1N8Q 和 1OG5 的结合潜力分别为-4.1 和-7.5kcal/mol。此外，芹黄素和 5-羟基芫花素复合物与各自的酶靶标之间存在范德华接触和强氢键。体外研究和计算分析结果均表明，由于橙色小单孢菌（Micromonospora aurantiaca TMC-15）的嗜盐特性，其甲氧基黄酮可用于对抗辐射介导的氧化损伤。良好的抗氧化活性不仅可以保护 DNA，还可以保护蛋白质和脂质氧化，因此由于其嗜盐特性，它可能成为放射保护药物和防晒霜的良好候选药物。
