Launaea procumbens 提取物的皮肤抗衰老潜力:ADMET 和分子对接研究支持的抗氧化和酶抑制活性

IF 3 3区 医学 Q2 PHARMACOLOGY & PHARMACY Saudi Pharmaceutical Journal Pub Date : 2024-05-25 DOI:10.1016/j.jsps.2024.102107
Hanan Khojah , Shaima R. Ahmed , Shahad Y. Alharbi , Kholood K. AlSabeelah , Hatham Y. Alrayyes , Kadi B. Almusayyab , Shahad R. Alrawiliy , Raghad M. Alshammari , Sumera Qasim
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引用次数: 0

摘要

衰老是所有生物都会经历的一个自然过程。尤其是皮肤,因为它是人体与周围环境之间的屏障,所以也体现了衰老。此前,我们曾报道过这种植物的伤口愈合效果,并确定了其中的化合物。本研究旨在探索该植物提取物的皮肤抗衰老特性。为此,我们使用两种互补的 DPPH 和 FRAP 试验评估了甲醇提取物(LPM)的抗氧化潜力。还评估了萃取物对胶原酶、弹性蛋白酶、透明质酸酶和酪氨酸酶的酶抑制作用,以评估其直接的皮肤抗衰老效果。同样,通过评估萃取物对环氧合酶-2(COX-2)和 5-脂氧合酶(5-LOX)的抑制作用,评估了抗炎活性,以探索间接抗衰老效果。此外,还进行了 ADMET 和分子对接研究,以探索 LPM 中已鉴定化合物与目标酶的相互作用机制。在 DPPH(IC = 29.08 µg/mL)和 FRAP(1214.67 µM FeSO4/g提取物)试验中,LPM表现出明显的抗氧化活性。植物提取物对胶原酶、弹性蛋白酶、透明质酸酶和酪氨酸酶有明显的抑制作用(IC 分别为 52.68、43.76、31.031 和 37.13 µg/mL)。该提取物具有明显的 COX-2 和 5-LOX 抑制能力,IC 值分别为 8.635 和 10.851 µg/mL。分子对接研究表明,所鉴定的化合物极有可能与皮肤老化过程中关键酶的活性位点结合。化合物的 ADMET 分析表明,它们具有良好的吸收、分布和代谢特征,而且是安全的。研究结果表明,这是开发天然皮肤抗衰老和抗氧化化合物的一个很有前景的来源。这反过来又有助于在进一步研究后将其纳入化妆品配方中。
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Skin anti-aging potential of Launaea procumbens extract: Antioxidant and enzyme inhibition activities supported by ADMET and molecular docking studies

Aging is a natural process that occurs in all living organisms. Particularly, the skin embodies aging since it serves as a barrier between the body and its surroundings. Previously, we reported the wound healing effect of Launaea procumbens and identified compounds therein. The study aims to explore the skin anti-aging properties of the plant extract. To that effect, the antioxidant potential of L. procumbens methanolic extract (LPM) was assessed using two complementary DPPH and FRAP assays. The enzyme inhibitory effect of the extract on collagenase, elastase, hyaluronidase, and tyrosinase was evaluated to assess the direct skin anti-aging effects. Similarly, the anti-inflammatory activity was evaluated to explore the indirect anti-aging effects via the assessment of extract inhibitory effects on cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX). In addition, ADMET and molecular docking studies were performed to explore the interaction mechanisms of identified compounds in LPM with target enzymes. LPM demonstrated significant antioxidant activity in DPPH (IC50 = 29.08 µg/mL) and FRAP (1214.67 µM FeSO4/g extract) assays. Plant extract showed significant inhibition of collagenase, elastase, hyaluronidase, and tyrosinase (IC50 = 52.68, 43.76, 31.031, and 37.13 µg/mL, respectively). The extract demonstrated significant COX-2 and 5-LOX inhibition capacity with IC50 values of 8.635 and 10.851 µg/mL, respectively. The molecular docking study revealed the high potential of the identified compounds to bind to the active sites of enzymes crucially involved in the skin aging process. ADMET analysis of the compounds revealed their good absorption, distribution, and metabolism profiles, and they were found to be safe as well. Study findings suggest L. procumbens as a promising source for the development of natural skin anti-aging and antioxidant compounds. This, in turn, may facilitate its incorporation into cosmetic formulations after further investigation.

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来源期刊
Saudi Pharmaceutical Journal
Saudi Pharmaceutical Journal PHARMACOLOGY & PHARMACY-
CiteScore
6.10
自引率
2.40%
发文量
194
审稿时长
67 days
期刊介绍: The Saudi Pharmaceutical Journal (SPJ) is the official journal of the Saudi Pharmaceutical Society (SPS) publishing high quality clinically oriented submissions which encompass the various disciplines of pharmaceutical sciences and related subjects. SPJ publishes 8 issues per year by the Saudi Pharmaceutical Society, with the cooperation of the College of Pharmacy, King Saud University.
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