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运用超高效液相色谱-串联质谱法(UHPLC-MS/MS)、计算机模拟分析、网络药理学和体外分析的整合观点来评估提取物的生物潜力。

Integration Viewpoint Using UHPLC-MS/MS, In Silico Analysis, Network Pharmacology, and In Vitro Analysis to Evaluate the Bio-Potential of Extracts.

作者信息

Nilofar Nilofar, Zengin Gokhan, Cetiz Mehmet Veysi, Yildiztugay Evren, Cziáky Zoltán, Jeko József, Ferrante Claudio, Kostka Tina, Esatbeyoglu Tuba, Dall'Acqua Stefano

机构信息

Department of Biology, Science Faculty, Selcuk University, Konya 42130, Türkiye.

Department of Pharmacy, Botanic Garden "Giardino dei Semplici", Università degli Studi "Gabriele d'Annunzio", Via dei Vestini 31, 66100 Chieti, Italy.

出版信息

Molecules. 2025 Jul 4;30(13):2855. doi: 10.3390/molecules30132855.

Abstract

The current study investigates the chemical profiling, antioxidant activities, and enzyme inhibitory and cytotoxic potential of the water and methanolic extracts of different parts (flower, leaf, and bulb) of . Chemical profiling was performed using UHPLC-MS/MS. At the same time, different in vitro assays were employed to support the results for antioxidant potential, such as DPPH, ABTS, FRAP, CUPRAC, metal chelation, and PBD, along with the measurement of total phenolic and flavonoid contents. Enzyme inhibition was investigated for cholinesterase (AChE and BChE), α-amylase, α-glucosidase, and tyrosinase enzymes. Additionally, the relative expression of NRF2, HMOX1, and YGS was evaluated by qPCR. LC-MS/MS analysis indicated the presence of some significant compounds, including apigenin, muscaroside, hyacinthacine A, B, and C, and luteolin. According to the results, the highest TPC and TFC were obtained with both extracts of the leaves, followed by the water extract (flower) and methanolic extract of the bulb. In contrast, the methanolic extract from the bulb exhibited the highest antioxidant potential using DPPH, ABTS, CUPRAC, and FRAP, followed by the extracts of leaves. In contrast, the leaf extracts had the highest values for the PBD assay and maximum chelation ability compared to other tested extracts. According to the enzyme inhibition studies, the methanolic extract from the bulb appeared to be the most potent inhibitor for all the tested enzymes, with the highest values obtained for AChE (1.96 ± 0.05), BChE (2.19 ± 0.33), α-amylase (0.56 ± 0.02), α-glucosidase (2.32 ± 0.01), and tyrosinase (57.19 ± 0.87). Interestingly, the water extract from the bulb did not inhibit most of the tested enzymes. The relative expression of based on qPCR analysis was considerably greater in the flower methanol extract compared to the other extracts ( < 0.05). The relative expression of HMOX1 was stable in all the extracts, whereas YGS expression remained stable in all the treatments and had no statistical differences. The current results indicate that the components of (leaves, flowers, and bulb) may be a useful source of natural bioactive compounds that are effective against oxidative stress-related conditions, including hyperglycemia, skin disorders, and neurodegenerative diseases. Complementary in silico approaches, including molecular docking, dynamics simulations, and transcription factor (TF) network analysis for , supported the experimental findings and suggested possible multi-target interactions for the selected compounds.

摘要

本研究调查了[植物名称]不同部位(花、叶和鳞茎)的水提取物和甲醇提取物的化学特征、抗氧化活性、酶抑制和细胞毒性潜力。使用超高效液相色谱-串联质谱法(UHPLC-MS/MS)进行化学特征分析。同时,采用不同的体外试验来支持抗氧化潜力的结果,如1,1-二苯基-2-三硝基苯肼(DPPH)、2,2'-联氮-双-3-乙基苯并噻唑啉-6-磺酸(ABTS)、铁还原抗氧化能力(FRAP)、铜离子还原抗氧化能力(CUPRAC)、金属螯合和磷钼酸法(PBD),并测定总酚和黄酮含量。研究了对胆碱酯酶(乙酰胆碱酯酶和丁酰胆碱酯酶)、α-淀粉酶、α-葡萄糖苷酶和酪氨酸酶的酶抑制作用。此外,通过定量聚合酶链反应(qPCR)评估核因子E2相关因子2(NRF2)、血红素加氧酶1(HMOX1)和[基因名称](YGS)的相对表达。液相色谱-串联质谱分析表明存在一些重要化合物,包括芹菜素、毒毛旋花子苷、海葱苷A、B和C以及木犀草素。结果表明,叶提取物的两种提取物获得的总酚含量(TPC)和总黄酮含量(TFC)最高,其次是花的水提取物和鳞茎的甲醇提取物。相比之下,鳞茎的甲醇提取物在DPPH、ABTS、CUPRAC和FRAP试验中表现出最高的抗氧化潜力,其次是叶提取物。相比之下,叶提取物在PBD试验中的值最高,与其他测试提取物相比具有最大的螯合能力。根据酶抑制研究,鳞茎的甲醇提取物似乎是所有测试酶的最有效抑制剂,乙酰胆碱酯酶(AChE,1.96±0.05)、丁酰胆碱酯酶(BChE,2.19±0.33)、α-淀粉酶(0.56±0.02)、α-葡萄糖苷酶(2.32±0.01)和酪氨酸酶(57.19±0.87)的值最高。有趣的是,鳞茎的水提取物没有抑制大多数测试酶。基于qPCR分析,[基因名称]在花甲醇提取物中的相对表达比其他提取物显著更高(P<0.05)。HMOX1的相对表达在所有提取物中稳定,而YGS表达在所有处理中保持稳定且无统计学差异。目前的结果表明,[植物名称](叶、花和鳞茎)的成分可能是天然生物活性化合物的有用来源,这些化合物对与氧化应激相关的病症有效,包括高血糖、皮肤疾病和神经退行性疾病。包括分子对接、动力学模拟和[植物名称]转录因子(TF)网络分析在内的补充性计算机方法支持了实验结果,并表明所选化合物可能存在多靶点相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bb93/12250750/2314ed88aaf1/molecules-30-02855-g001.jpg

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7
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9
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