Abstract
A diet high in phytochemical-rich plant foods is associated with reducing the risk of chronic diseases such as cardiovascular and neurodegenerative diseases, obesity, diabetes and cancer. Oxidative stress and inflammation (OSI) is the common component underlying these chronic diseases. Whilst the positive health effects of phytochemicals and their metabolites have been demonstrated to regulate OSI, the timing and absorption for best effect is not well understood. We developed a model to predict the time to achieve maximal plasma concentration (Tmax) of phytochemicals in fruits and vegetables. We used a training dataset containing 67 dietary phytochemicals from 31 clinical studies to develop the model and validated the model using three independent datasets comprising a total of 108 dietary phytochemicals and 98 pharmaceutical compounds. The developed model based on dietary intake forms and the physicochemical properties lipophilicity and molecular mass accurately predicts Tmax of dietary phytochemicals and pharmaceutical compounds over a broad range of chemical classes. This is the first direct model to predict Tmax of dietary phytochemicals in the human body. The model informs the clinical dosing frequency for optimising uptake and sustained presence of dietary phytochemicals in circulation, to maximise their bio-efficacy for positively affect human health and managing OSI in chronic diseases.
Highlights
Chronic diseases are the leading causes of mortality in the world, responsible for 68% of all deaths[1]
The log P model had substantially lower %relative error (RE) for the PHv-fasted dataset and had higher prediction accuracy. This is the first direct model to predict the time of maximal plasma concentration (Tmax) of dietary phytochemicals in the human body based on their physicochemical properties and dietary intake forms
We found significantly high correlation between some of the physicochemical properties and selected three independent physicochemical properties to use in the model including molecular mass, lipophilicity and polar surface area
Summary
Chronic diseases are the leading causes of mortality in the world, responsible for 68% of all deaths[1]. Oxidative stress and inflammation (OSI) are consistently high in people suffering from chronic diseases[7] These transient elevated states of OSI can be associated with daily cycles of activity including meal digestion[8] and exercise[9] in healthy individuals. The timing of dietary phytochemical consumption relative to OSI challenges (e.g., meal or exercise) could be an important factor in understanding and optimising the health benefits of phytochemicals. Oral bioavailability of phytochemicals can be informed by the application of in silico modelling widely used in pharmaceutical sciences[25] and drug discovery[26] These models correlate in vitro and/or in vivo passive absorption of drugs with their chemical structures described by physicochemical properties to predict the absorption of similar compounds[27]. There is currently no such model for predicting Tmax of dietary phytochemicals from physicochemical properties
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