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提取物活性成分的植物化学成分、抗氧化作用、体外及计算机模拟研究:有望成为弹性蛋白酶抑制剂

Phytochemical composition, antioxidant, in vitro and in silico studies of active compounds of extracts as promising elastase inhibitor.

作者信息

Nur Syamsu, Setiawan Heri, Hanafi Muhammad, Elya Berna

机构信息

Department of Phytochemistry and Pharmacognosy, Faculty of Pharmacy, Universitas Indonesia, Depok 16424, Indonesia.

Department of Pharmaceutical Chemistry, Sekolah Tinggi Ilmu Farmasi Makassar, Makassar 90245, Indonesia.

出版信息

Saudi J Biol Sci. 2023 Aug;30(8):103716. doi: 10.1016/j.sjbs.2023.103716. Epub 2023 Jun 23.

DOI:10.1016/j.sjbs.2023.103716
PMID:37457237
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10344807/
Abstract

is a plant in the Hypoxidaceae family commonly used in herbal medicine. The study objective was to evaluate the antioxidant and anti-elastase properties of extracts in vitro and silico as a candidate for antiaging active ingredients. This study identified secondary metabolites of the hexane (HE), ethyl acetate (EAE), and ethanol extracts (EE) from the root (R), stem (S), and leaf (L) organs by LC-ESI-MS and evaluated in vitro antioxidant and inhibitor elastase activity. An antioxidant evaluation was performed using ABTS, Beta Carotene Bleaching (BCB), and Ferric Reduction Antioxidant Power (FRAP). Evaluation of anti-elastase was carried out using elastase and followed by an in silico study of molecular docking using the target protein elastase (1B0F). Fifteen metabolites were identified in extracts, most of which were phenolic compounds. In antioxidant testing, REE, REAE, SEE, and SEAE extracts showed potent antioxidant activity based on the ABTS, BCB, and FRAP methods. In anti-elastase testing, it was found that SEE, REE, REAE, and RHE extracts gave powerful inhibition of elastase activity (in the ranges of 16.89 to 27.91 µg/mL). The in-silico study demonstrated the potential of the identified metabolites to bind to the target protein 1B0F involved in remodeling the skin aging process. This research concludes that the extracts from have the potential to serve as an active antiaging source.

摘要

是一种常用于草药医学的仙茅科植物。本研究的目的是在体外和计算机模拟中评估该植物提取物作为抗衰老活性成分候选物的抗氧化和抗弹性蛋白酶特性。本研究通过液相色谱-电喷雾电离质谱法(LC-ESI-MS)鉴定了从根(R)、茎(S)和叶(L)器官中提取的己烷提取物(HE)、乙酸乙酯提取物(EAE)和乙醇提取物(EE)中的次生代谢产物,并评估了其体外抗氧化和抑制弹性蛋白酶活性。使用ABTS法、β-胡萝卜素漂白法(BCB)和铁还原抗氧化能力法(FRAP)进行抗氧化评估。使用弹性蛋白酶进行抗弹性蛋白酶评估,随后使用目标蛋白弹性蛋白酶(1B0F)进行分子对接的计算机模拟研究。在提取物中鉴定出15种代谢产物,其中大部分是酚类化合物。在抗氧化测试中,基于ABTS法、BCB法和FRAP法,根乙醇提取物(REE)、根乙酸乙酯提取物(REAE)、茎乙醇提取物(SEE)和茎乙酸乙酯提取物(SEAE)显示出强大的抗氧化活性。在抗弹性蛋白酶测试中,发现SEE、REE、REAE和根己烷提取物(RHE)对弹性蛋白酶活性有强大的抑制作用(在16.89至27.91µg/mL范围内)。计算机模拟研究表明,所鉴定的代谢产物具有与参与重塑皮肤衰老过程的目标蛋白1B0F结合的潜力。本研究得出结论,该植物的提取物有潜力作为一种活性抗衰老来源。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d29f/10344807/b08eed20a1e5/gr8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d29f/10344807/f2f4d1923dca/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d29f/10344807/9b2aa65fe5a9/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d29f/10344807/8afd2119b9df/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d29f/10344807/968435d6d9e0/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d29f/10344807/5a3997a0906e/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d29f/10344807/a95e1c06768c/gr6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d29f/10344807/29e8090dfeaa/gr7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d29f/10344807/b08eed20a1e5/gr8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d29f/10344807/f2f4d1923dca/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d29f/10344807/9b2aa65fe5a9/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d29f/10344807/8afd2119b9df/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d29f/10344807/968435d6d9e0/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d29f/10344807/5a3997a0906e/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d29f/10344807/a95e1c06768c/gr6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d29f/10344807/29e8090dfeaa/gr7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d29f/10344807/b08eed20a1e5/gr8.jpg

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