东方球的植物化学和生物活性评价

IF 3.2 4区 工程技术 Q2 CHEMISTRY, MULTIDISCIPLINARY
Gülşen Güçlü, Burak Tüzün, Esra Uçar, Nuraniye Eruygur, Mehmet Ataş, Merve İnanır, Tansu Uskutoğlu, Belgin Coşge Şenkal
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引用次数: 0

摘要

Globularia orientalis L.是油棕科的一员,很好地适应了温暖的气候,是一种药用和芳香植物,传统上用于治疗方法。本研究提取了80%乙醇提取物,并对其酶抑制活性、抗氧化、抑菌和抗癌活性进行了研究。此外,该植物的代谢特性通过计算机方法被阐明。数据显示,该植物的主要成分为2-丙烯酸三烷基酯。此外,该植物还具有较强的抗氧化活性,对乳腺癌具有很强的细胞毒活性。结果表明,东施草化学成分对乳腺癌蛋白(PDB ID: 1A52和1JNX)、抗氧化蛋白(PDB ID: 1HD2)、AChE酶蛋白(PDB ID: 4M0E)、BChE酶蛋白(PDB ID: 5NN0)和α-Gly蛋白(PDB ID: 1R47)具有不同的抑制作用。高活性化合物进行ADME/T分析。为了研究植物中化合物对人体代谢的影响,我们进行了ADME/T计算。总之,这些发现表明,需要继续研究,通过活性引导的分离,以确定在未来的研究中负责这些影响的化合物。最后,利用MM/GBSA技术计算出对接得分最高的分子的结合自由能。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Phytochemical and Biological Activity Evaluation of Globularia orientalis L

Globularia orientalis L., a member of the Oleaceae family, is well-adapted to warm climates and a medicinal and aromatic plant traditionally used in treatment methods. In this study, 80% ethanol extract of G. orientalis was obtained, and its enzyme inhibition activity, antioxidant, antimicrobial, and anticancer activities were investigated. Additionally, the metabolic properties of the plant were elucidated through in silico methods. The data revealed '2-Propenoic acid, tridecyl ester' as the major component of this plant. Furthermore, G. orientalis exhibited potent antioxidant activity, and its cytotoxic activity against breast cancer was found to be robust. G. orientalis' chemical constituents were shown to have different actions against breast cancer protein (PDB ID: 1A52 and 1JNX), anti-oxidant protein (PDB ID: 1HD2), AChE enzyme protein (PDB ID: 4M0E), BChE enzyme protein (PDB ID: 5NN0), and α-Gly protein (PDB ID: 1R47). High-activity compounds were subjected to ADME/T analysis. To investigate how compounds in the plant G. orientalis L. affect human metabolism, ADME/T calculations were performed. In conclusion, these findings suggest the need for continued research through activity-guided fractionation to identify the compounds responsible for these effects in future studies. Lastly, the binding free energy of the molecule with the best docking score is computed using MM/GBSA techniques.

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来源期刊
Korean Journal of Chemical Engineering
Korean Journal of Chemical Engineering 工程技术-工程:化工
CiteScore
4.60
自引率
11.10%
发文量
310
审稿时长
4.7 months
期刊介绍: The Korean Journal of Chemical Engineering provides a global forum for the dissemination of research in chemical engineering. The Journal publishes significant research results obtained in the Asia-Pacific region, and simultaneously introduces recent technical progress made in other areas of the world to this region. Submitted research papers must be of potential industrial significance and specifically concerned with chemical engineering. The editors will give preference to papers having a clearly stated practical scope and applicability in the areas of chemical engineering, and to those where new theoretical concepts are supported by new experimental details. The Journal also regularly publishes featured reviews on emerging and industrially important subjects of chemical engineering as well as selected papers presented at international conferences on the subjects.
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