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L. (阿尔斯顿) 的化学特征分析及其皮肤学和抗老化特性:来自分子对接、分子动力学和实验的证据。

Chemical profiling and dermatological and anti-aging properties of L. (Alston): evidence from molecular docking, molecular dynamics, and experiments.

作者信息

Mahdi Ismail, Imbimbo Paola, Ortaakarsu Ahmet Buğra, Adhiambo Ochieng Melvin, Ben Bakrim Widad, Drissi Badr Eddine, Ibrahim Mohammed Auwal, Abdelfattah Mohamed A O, Mahmoud Mona F, Monti Daria Maria, Sobeh Mansour

机构信息

AgroBioSciences Program, College of Agriculture and Environmental Science, University Mohammed VI Polytechnic, Ben Guerir, Morocco.

Department of Chemical Sciences, University of Napoli Federico II, Complesso Universitario Monte Sant'Angelo, Napoli, Italy.

出版信息

Front Mol Biosci. 2024 Jan 5;10:1331059. doi: 10.3389/fmolb.2023.1331059. eCollection 2023.

Abstract

The phytoconstituents of the aqueous extract from L. (Alston) leaves were defined using HPLC-PDA-MS/MS and the antioxidant, anti-aging, antibacterial, and anti-biofilm activities of the extract were and investigated. The antioxidant activities were performed using DPPH and FRAP assays as well as H-DCFDA assay in HaCaT cells in which oxidative stress was induced by UVA radiation. Anti-aging activity was tested , using aging-related enzymes. The antibacterial, anti-biofilm and inhibitory effects on bacterial mobilities (swarming and swimming) were assessed against . Results showed that aqueous extract contained 28 phytochemicals belonging to different metabolite classes, mainly phenolic acids, gallic acid derivatives, flavonoids, and ellagitannins. Mineral content analysis showed that leaves contained moderate amounts of nitrogen, potassium, manganese, magnesium, and zinc, relatively low amounts of phosphorus and copper, and high concentration of calcium and iron. The extract displayed strong antioxidant activities and inhibited UVA-induced oxidative stress in HaCaT cells. Docking the major compounds identified in the extract into the four main protein targets involved in skin aging revealed an appreciable inhibitory potential of these compounds against tyrosinase, elastase, hyaluronidase, and collagenase enzymes. Moreover, molecular dynamic simulations were adopted to confirm the binding affinity of some selected compounds towards the target enzymes. The extract exhibited pronounced anti-aging effects, compared to kojic acid and quercetin (the reference compounds). It also inhibited the growth of , counteracted its ability to form biofilm, and impeded its swarming and swimming mobilities. Altogether, these findings strongly propose leaves as a promising source of bioactive metabolites for the development of natural cosmeceutical and dermatological agents.

摘要

采用高效液相色谱-光电二极管阵列-串联质谱法(HPLC-PDA-MS/MS)对长隔木(L. (Alston))叶片水提取物中的植物成分进行了鉴定,并对该提取物的抗氧化、抗衰老、抗菌和抗生物膜活性进行了研究。抗氧化活性通过二苯基苦味酰基自由基(DPPH)和铁离子还原抗氧化能力(FRAP)测定法以及在经紫外线A(UVA)辐射诱导氧化应激的人永生化角质形成细胞(HaCaT细胞)中进行的2',7'-二氯二氢荧光素二乙酸酯(H-DCFDA)测定法进行评估。使用与衰老相关的酶测试抗衰老活性。针对[具体细菌名称未给出]评估其抗菌、抗生物膜以及对细菌运动性(群游和游动)的抑制作用。结果表明,水提取物含有28种属于不同代谢物类别的植物化学物质,主要为酚酸、没食子酸衍生物、黄酮类化合物和鞣花单宁。矿物质含量分析表明,长隔木叶片含有适量的氮、钾、锰、镁和锌,相对少量的磷和铜,以及高浓度的钙和铁。该提取物表现出较强的抗氧化活性,并抑制了UVA诱导的HaCaT细胞氧化应激。将提取物中鉴定出的主要化合物对接至参与皮肤衰老的四个主要蛋白质靶点,结果显示这些化合物对酪氨酸酶、弹性蛋白酶、透明质酸酶和胶原酶具有明显的抑制潜力。此外,采用分子动力学模拟来确认一些选定化合物对靶酶的结合亲和力。与曲酸和槲皮素(参考化合物)相比,该提取物表现出显著的抗衰老作用。它还抑制了[具体细菌名称未给出]的生长,抵消了其形成生物膜的能力,并阻碍了其群游和游动运动性。总之,这些发现有力地表明长隔木叶片有望成为开发天然化妆品和皮肤科药物的生物活性代谢物来源。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fd4a/10797028/7b696eb93797/fmolb-10-1331059-g001.jpg

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