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叶片乙酸乙酯提取物的植物化学成分、抗氧化、细胞毒性及计算机模拟研究评估

Evaluation of phytochemical composition, antioxidant, cytotoxic and in silico studies of ethyl acetate fractions of leaves.

作者信息

Situmeang Boima, Swasono Respati Tri, Raharjo Tri Joko

机构信息

Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Gadjah Mada, Yogyakarta, Indonesia.

Department of Chemistry, Sekolah Tinggi Analis Kimia Cilegon, Banten, Indonesia.

出版信息

Toxicol Rep. 2025 Jan 14;14:101911. doi: 10.1016/j.toxrep.2025.101911. eCollection 2025 Jun.

Abstract

is a member of the family. The leaves of are frequently utilized as herbal tea. The study aimed to evaluate the polyphenolic content, antioxidant, and cytotoxic properties of ethyl acetate fractions derived from (ETM). In addition, it also aimed to conduct an LC-HRMS analysis of a potential fraction to ascertain its suitability as an antioxidant and anticancer active ingredient. An antioxidant evaluation was carried out using the ABTS and DPPH methods. Meanwhile, an in silico study was performed using the target protein elastase (HER-2). A total of twenty metabolites of were identified in the potential fraction ETM.05. In antioxidant testing, the fraction, with code ETM.05, demonstrated potent antioxidant activity based on the ABTS and DPPH methods, with IC values of 64.830 ± 2.803 µg/mL and 40.252 ± 0.032 µg/mL, respectively. This resulted in the categorization of the fraction as a strong antioxidant. In the anticancer testing, ETM.05 also demonstrated potent anticancer activity, with an IC value of 10.66 µg/mL, which was categorized as a very strong activity in comparison to the positive control (cisplatin), which exhibited an IC value of 12.24 µg/mL. The in silico study indicates that the identified metabolites have the potential to bind to the target protein HER-2, which plays a role in remodeling the breast cancer process. This research suggests that the fraction ETM.05 from the ethyl acetate leaves fraction of has the potential to serve as an active antioxidant and anticancer source.

摘要

是该科的一员。的叶子常被用作草药茶。本研究旨在评估源自(ETM)的乙酸乙酯馏分的多酚含量、抗氧化和细胞毒性特性。此外,它还旨在对一种潜在馏分进行液相色谱-高分辨质谱分析,以确定其作为抗氧化剂和抗癌活性成分的适用性。使用ABTS和DPPH方法进行抗氧化评估。同时,使用目标蛋白弹性蛋白酶(HER-2)进行计算机模拟研究。在潜在馏分ETM.05中总共鉴定出了二十种的代谢物。在抗氧化测试中,编号为ETM.05的馏分基于ABTS和DPPH方法表现出强大的抗氧化活性,IC值分别为64.830±2.803μg/mL和40.252±0.032μg/mL。这使得该馏分被归类为强抗氧化剂。在抗癌测试中,ETM.05也表现出强大的抗癌活性,IC值为10.66μg/mL,与阳性对照(顺铂)相比,其IC值为12.24μg/mL,被归类为非常强的活性。计算机模拟研究表明,鉴定出的代谢物有可能与目标蛋白HER-2结合,HER-2在重塑乳腺癌过程中起作用。这项研究表明,来自的乙酸乙酯叶馏分中的ETM.05馏分有潜力作为一种活性抗氧化剂和抗癌来源。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ee30/11787705/95a1c618093e/ga1.jpg

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