Integrating in vitro and in silico techniques for evaluating the antioxidant activity of Chrysanthemum indicum L
The prevalence of degenerative diseases has been escalating due to the mounting presence of oxidative stress conditions, characterized by elevated levels of reactive oxygen species (ROS). Oxidative stress triggers genetic alterations, structural modifications, and the progression of various degenera...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Pensoft Publishers
2025-01-01
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| Series: | Pharmacia |
| Online Access: | https://pharmacia.pensoft.net/article/139273/download/pdf/ |
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| Summary: | The prevalence of degenerative diseases has been escalating due to the mounting presence of oxidative stress conditions, characterized by elevated levels of reactive oxygen species (ROS). Oxidative stress triggers genetic alterations, structural modifications, and the progression of various degenerative disorders, including cancer, diabetes, Parkinson’s disease, Alzheimer’s disease, rheumatoid arthritis, and osteoporosis. Consequently, the modulation of redox homeostasis and attenuation of oxidative stress through the activity of antioxidant compounds play crucial roles. Chrysanthemum indicum L., an herb with rich historical usage for alleviating diverse discomforts and oxidative stress-related ailments, possesses potential antioxidant properties. Nevertheless, the precise mechanism underlying its efficacy remains poorly understood. In this study, the antioxidant potential of chrysanthemum flower ethanol extract was investigated by assessing its ability to inhibit 2,2-dyphenyl-1-picrylhydrazyl (DPPH) radicals. Additionally, the detected compounds present in chrysanthemum flowers were computationally docked to the key macromolecular receptors involved in reactive oxygen species (ROS) production, namely Cytochrome P450 (CP450) and NADPH oxidase (NO). The findings revealed that the ethanolic extract in chrysanthemum flowers displayed inhibitory activity against 2,2-dyphenyl-1-picrylhydrazyl (DPPH) radicals at a concentration of 1.35 µg/mL, which is comparable to that of vitamin C (0.7 µg/mL). Moreover, the bioactive compounds present in the ethanolic extract of chrysanthemum flowers, namely 3-hydroxyspirost-8-en-11-one, ingenol 3-hexadecanoate, and Ergosta-5,22-dien-3-ol acetate, were subjected to docking simulations with CP450 and NO receptors. The binding-free energies (BFEs) acquired for the compound 3-Hydroxyspirost-8-en-11-one were determined to be -12.7 kcal/mol and -12.4 kcal/mol for CP450 and NO receptors, respectively. Similarly, the compound Ingenol 3-hexadecanoate exhibited BFE values of -9.5 kcal/mol and -10.7 kcal/mol, while the compound Ergosta-5,22-dien-3-ol acetate displayed BFEs of -8.9 kcal/mol and -8.1 kcal/mol for CP450 and NO receptors, respectively. In contrast, the control substances 5-fluorouracil (FLU) and dextromethorphan (DEX) demonstrated BFEs of -4.9 kcal/mol and -6.5 kcal/mol, respectively, for each receptor. Collectively, our findings suggest that chrysanthemum extract holds promise as a natural antioxidant source for alleviating oxidative stress and preventing the progression of degenerative diseases, including cancer and diabetes. |
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| ISSN: | 2603-557X |