Nutritional profiling, antioxidant activity, and in vivo toxicological evaluation of Myristica fragrans seeds: renal-protective insights from molecular docking.

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Title: Nutritional profiling, antioxidant activity, and in vivo toxicological evaluation of Myristica fragrans seeds: renal-protective insights from molecular docking.
Authors: Tariq, Duaa1 (AUTHOR), Sultan, Muhammad T1 (AUTHOR), Noman, Ahmad Mujtaba1 (AUTHOR), Maaz, Muhammad1 (AUTHOR), Raza, Hassan1 (AUTHOR), Khalid, Muhammad Usman1 (AUTHOR), Ahmad, Atif Nisar2 (AUTHOR), Jbawi, Entessar Al3 (AUTHOR)
Source: International Journal of Food Science & Technology. 2026, Vol. 61 Issue 1, p1-14. 14p.
Subjects: Molecular docking, Kidney diseases, Nutmeg tree, Medicinal plants, In vivo toxicity testing, Nutritional assessment, Pharmacokinetics, Antioxidants
Abstract: Medicinal plants are utilised in the pharmaceutical, nutraceutical, food, and beverage industries for their safety and health-promoting properties. The current study evaluates the nutritional composition, antioxidant activity, ADMET (absorption, distribution, metabolism, excretion, and toxicity) analysis, in vivo safety assessment, and the in silico renal-protective effect of Myristica fragrans seed powder and extract. The proximate composition and antioxidant potential of M. fragrans were evaluated by Association of Official Agricultural Chemists, along with the total phenolic contents, FRAP (ferric reducing antioxidant power), and DPPH (2,2-Diphenyl-1-picrylhydrazyl) methods. For safety assessment, Sprague–Dawley rats were supplemented with M. fragrans seed powder (MFSP) and hydroethanolic extract (MFS-HEE) for 28 days. Additionally, eugenol, Licarin A, and myristicin were assessed for ADMET properties and docked with 4E4D (Crystal structure of the mouse RANKL-OPG complex), using PyRx and Discovery Studio Visualizer. The results showed that M. fragrans seeds comprise fat (26.55%), fibre (12.23%), and protein (15.75%), and hydroethanolic extract exhibited maximum antioxidant activity in DPPH and FRAP assays. Furthermore, safety evaluation revealed no haematological and histopathological adverse effects. The lipid profile was reduced by 600 mg/kg body weight of dried M. fragrans seeds extract. Licarin A revealed the highest binding affinity (−7.6 kcal/mol) with the renal-injury related protein in molecular docking analysis; moreover, eugenol exhibited the highest predicted absorption and safety compared to other compounds in ADMET analysis. In conclusion, MFSP and MFS-HEE are safe and have renal protective potential. [ABSTRACT FROM AUTHOR]
Copyright of International Journal of Food Science & Technology is the property of Oxford University Press / USA and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Nutritional profiling, antioxidant activity, and in vivo toxicological evaluation of Myristica fragrans seeds: renal-protective insights from molecular docking.
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  Label: Abstract
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  Data: Medicinal plants are utilised in the pharmaceutical, nutraceutical, food, and beverage industries for their safety and health-promoting properties. The current study evaluates the nutritional composition, antioxidant activity, ADMET (absorption, distribution, metabolism, excretion, and toxicity) analysis, in vivo safety assessment, and the in silico renal-protective effect of Myristica fragrans seed powder and extract. The proximate composition and antioxidant potential of M. fragrans were evaluated by Association of Official Agricultural Chemists, along with the total phenolic contents, FRAP (ferric reducing antioxidant power), and DPPH (2,2-Diphenyl-1-picrylhydrazyl) methods. For safety assessment, Sprague–Dawley rats were supplemented with M. fragrans seed powder (MFSP) and hydroethanolic extract (MFS-HEE) for 28 days. Additionally, eugenol, Licarin A, and myristicin were assessed for ADMET properties and docked with 4E4D (Crystal structure of the mouse RANKL-OPG complex), using PyRx and Discovery Studio Visualizer. The results showed that M. fragrans seeds comprise fat (26.55%), fibre (12.23%), and protein (15.75%), and hydroethanolic extract exhibited maximum antioxidant activity in DPPH and FRAP assays. Furthermore, safety evaluation revealed no haematological and histopathological adverse effects. The lipid profile was reduced by 600 mg/kg body weight of dried M. fragrans seeds extract. Licarin A revealed the highest binding affinity (−7.6 kcal/mol) with the renal-injury related protein in molecular docking analysis; moreover, eugenol exhibited the highest predicted absorption and safety compared to other compounds in ADMET analysis. In conclusion, MFSP and MFS-HEE are safe and have renal protective potential. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
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  Data: <i>Copyright of International Journal of Food Science & Technology is the property of Oxford University Press / USA and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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        Value: 10.1093/ijfood/vvag081
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      – Code: eng
        Text: English
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        PageCount: 14
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    Subjects:
      – SubjectFull: Molecular docking
        Type: general
      – SubjectFull: Kidney diseases
        Type: general
      – SubjectFull: Nutmeg tree
        Type: general
      – SubjectFull: Medicinal plants
        Type: general
      – SubjectFull: In vivo toxicity testing
        Type: general
      – SubjectFull: Nutritional assessment
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      – SubjectFull: Pharmacokinetics
        Type: general
      – SubjectFull: Antioxidants
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      – TitleFull: Nutritional profiling, antioxidant activity, and in vivo toxicological evaluation of Myristica fragrans seeds: renal-protective insights from molecular docking.
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              Text: 2026
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