Objective

Children with autism spectrum disorder (ASD) had lower vitamin D3 levels than neurotypical (NT) children, as well as deficits in language, social, and fine motor abilities. Nanotechnology has appeared as a suitable answer to absorption and bioavailability problems related to vitamin D3. This study aims to investigate the influence of vitamin D3-loaded nanoemulsion supplementation on adaptive behavior and language performance in children with ASD compared to the influence of the marketed product of vitamin D3.

Methods

Supplementation of ASD children with an oral vitamin D3-loaded nanoemulsion was performed in group I while the marketed product of the oral vitamin D3 was used in group II for 6 months. Evaluation of their abilities and measuring the plasma levels of 2 types of vitamin D3 were performed using ultra-performance liquid chromatography before and after supplementation.

Results

Supplementation in group I (n ​= ​40) has led to an elevation of levels of 25 (OH) and 1, 25 (OH)₂ forms of vitamin D3 (P ​< ​0.000,1), to behavioral improvement in the form of a reduction in ASD severity, and to a rise in the social IQ and total language age of ASD children (P ​= ​0.000,2, 0.04, 0.000,9, respectively). On the other hand, group II (n ​= ​40) did not show adaptive behavioral improvements.

Conclusions

The vitamin D3-loaded nanoemulsion provided better vitamin D3 bioavailability and a true influence on severity, adaptive behavior, fine motor abilities, and language performance, reflecting the desired benefits of the rise of vitamin D3 levels in the blood.

The study investigates the interaction between the human epidermal growth receptor 2 (HER2) and amygdalin, a compound found in peaches, almonds, and apples. To assess the potential of amygdalin, the interaction between HER2 and amygdalin was explored using molecular docking and molecular dynamics simulations. Binding energies were evaluated for both the crystal and equilibrated HER2 structures. The effects of water on binding were also assessed. Molecular dynamics simulations analyzed structural changes in HER2, including interdomain distances, hydrogen bond fluctuations, dihedral angle shifts, and residue-residue distances at the dimerization arm. The free energy landscape was constructed to evaluate stability. Binding energies of −33.472 ​kJ/mol and −36.651 ± 0.867 ​kJ/mol were observed for the crystal and equilibrated HER2 structures, respectively, with water further enhancing binding to −41.212,4 ​± ​1.272,7 and −53.513 ± 1.452,3 ​kJ/mol. Molecular dynamics simulations revealed significant conformational changes in HER2, including a reduction in interdomain distance, fluctuations in hydrogen bond lengths, and a shift in dihedral angles from 60° to −30°. The residue-residue distance at the dimerization arm decreased, indicating conformational changes upon binding. The free energy landscape showed a deeper and more defined minimum in the bound state, reflecting enhanced stability. These findings highlight amygdalin’s potential as a therapeutic agent targeting HER2.

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