A1 Refereed original research article in a scientific journal
Elemental evaluation, nutritional analysis, GC-MS analysis and ameliorative effects of Artocarpus communis< JRForst. & G.Forst. seeds' phytoconstituents on metabolic syndrome via in silico approach
Authors: Ogunlakin, Akingbolabo Daniel; Ojo, Oluwafemi Adeleke; Gyebi, Gideon Ampoma; Akinwumi, Idayat Adeola; Adebodun, Great Oluwamayokun; Ayokunle, Damilare Iyinkristi; Ambali, Owoola Azeezat; Ayeni, Peluola Olujide; Awosola, Oyindamola Esther; Babatunde, Dare Ezekiel; Akintunde, Emmanuel Adewuni; Ajayi-Odoko, Omolola Adenike; Dahunsi, Olatunde Samuel; Sonibare, Mubo Adeola
Publisher: TAYLOR & FRANCIS INC
Publishing place: PHILADELPHIA
Publication year: 2025
Journal: Journal of Biomolecular Structure and Dynamics
Journal name in source: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
Journal acronym: J BIOMOL STRUCT DYN
Volume: 43
Issue: 4
First page : 1981
Last page: 2001
Number of pages: 21
ISSN: 0739-1102
eISSN: 1538-0254
DOI: https://doi.org/10.1080/07391102.2023.2293271
The nutritional as well as beneficial effects of the Artocarpus communis seed on metabolic syndrome complications have not been studied. In this research, the aim was to investigate the nutritional composition and beneficial effects of Artocarpus communis seeds' phytoconstituents on the p53 core, fat mass and obesity-associated (FTO) protein and cytochrome P450 CYP11A1 domains. The elements and phytochemicals in the seed were determined through atomic absorption spectroscopy assay and gas chromatography-mass spectrometry (GC-MS) analysis, respectively. Also, the compounds detected were docked to the p53 core, FTO protein and cytochrome P450 CYP11A1 domains protein. Artocarpus communis seed contains sodium (7.824 +/- 0.0134 ppm), magnesium (10.187 +/- 0.0239 ppm) and iron (1.924 +/- 0.0017), while zinc and cadmium were undetected. Phenolics and flavonoids were the most abundant phytochemicals in the seed. Phytoconstituents, such as pentadecanoic acid, hexadecanoic acid and methyl ester, possessing different therapeutic effects were identified via GC-MS analysis. In A. communis seed, 3-methyl-4-nitro-5-(1-pyrazolyl) pyrazole and phenanthrene were able to bind more peculiarly and specifically to the p53 core, FTO protein and cytochrome P450 CYP11A1 domains. One of the important processes that were hypothesized for the recovery of metabolic syndrome in affected victims is shown by the molecular dynamics analysis, which shows that the binding of these chemicals to the targeted structure stabilized the proteins. Therefore, Artocarpus communis seeds could be a new strategy for the management of metabolic syndrome.
