Samsudin, Nurhusna and Hashim, Yumi Zuhanis Has-Yun and Mohd. Salleh, Hamzah
(2019)
In-silico approach in risk assessment of nutraceutical properties.
In: Global Halal Sphere Conference 2019 (GloHaS 2019), 21st-22nd August 2019, Kuala Lumpur, Malaysia.
(Unpublished)
Abstract
Dietary supplements, including those containing botanical ingredients and botanical-derived
compounds, have been marketed to consumers globally for many decades. However, the
legislative framework for such products remains inconsistent across jurisdictions
internationally. A common problem, concerning these nutraceutical product, is deficient
information and lack of data for assessing the hazards posed to human health. The main
objective is to explore the use of in silico tools in a risk assessment context of
nutraceutical product, to relate properties of the molecular structure to the toxic effect
of the chemical substance, by using principles and methods of computational chemistry.
Further consideration of the actual impact of adverse events arising from nutraceutical food
supplement usage will be helpful in guiding such issue as potential for misidentification, and
adulteration of botanical supplements by pharmacologically active substances.
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