Department of Pharmacology, School of Medicine, Universidad Nacional Autónoma de México (UNAM), Mexico City 04510, Mexico.
Department of Basic Medical Sciences, Faculty of Health Sciences, Icesi University, Cali 760031, Colombia.
Biomolecules. 2023 Nov 20;13(11):1673. doi: 10.3390/biom13111673.
Many natural products have been acquired from plants for their helpful properties. Medicinal plants are used for treating a variety of pathologies or symptoms. The axes of many pathological processes are inflammation, oxidative stress, and senescence. This work is focused on identifying Mexican medicinal plants with potential anti-oxidant, anti-inflammatory, anti-aging, and anti-senescence effects through network analysis and chemoinformatic screening of their phytochemicals. We used computational methods to analyze drug-like phytochemicals in Mexican medicinal plants, multi-target compounds, and signaling pathways related to anti-oxidant, anti-inflammatory, anti-aging, and anti-senescence mechanisms. A total of 1373 phytochemicals are found in 1025 Mexican medicinal plants, and 148 compounds showed no harmful functionalities. These compounds displayed comparable structures with reference molecules. Based on their capacity to interact with pharmacological targets, three clusters of Mexican medicinal plants have been established. , , , and all have anti-oxidant, anti-inflammatory, anti-aging, and anti-senescence effects. , , and contained phytochemicals with anti-oxidant, anti-inflammatory, anti-aging, and anti-senescence reported activity. , , , and have drug-like phytochemicals with potential anti-oxidant, anti-inflammatory, anti-aging, and anti-senescence effects. Between the drug-like phytochemicals, lonchocarpin, vallesine, and erysotrine exhibit potential anti-oxidant, anti-inflammatory, anti-aging, and anti-senescence effects. For the first time, we conducted an initial virtual screening of selected Mexican medicinal plants, which was subsequently confirmed in vivo, evaluating the anti-inflammatory activity of Benth in mice.
许多天然产物因其有益特性而从植物中获得。药用植物用于治疗各种病理或症状。许多病理过程的轴心是炎症、氧化应激和衰老。这项工作专注于通过网络分析和植物化学物质的化学信息学筛选,确定具有潜在抗氧化、抗炎、抗老化和抗衰老作用的墨西哥药用植物。我们使用计算方法分析了墨西哥药用植物中的类药性植物化学物质、多靶点化合物以及与抗氧化、抗炎、抗老化和抗衰老机制相关的信号通路。在 1025 种墨西哥药用植物中发现了 1373 种植物化学物质,其中 148 种化合物没有有害功能。这些化合物与参考分子具有相似的结构。基于它们与药理靶点相互作用的能力,确定了三组墨西哥药用植物。 、 、 和 均具有抗氧化、抗炎、抗老化和抗衰老作用。 、 和 含有具有抗氧化、抗炎、抗老化和抗衰老报道活性的植物化学物质。 、 、 和 具有潜在的抗氧化、抗炎、抗老化和抗衰老作用的类药性植物化学物质。在类药性植物化学物质中,lonchocarpin、vallesine 和 erysotrine 表现出潜在的抗氧化、抗炎、抗老化和抗衰老作用。这是我们首次对选定的墨西哥药用植物进行初步的虚拟筛选,随后在体内进行了验证,评估了 Benth 在小鼠中的抗炎活性。
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