Theoretical study predicting the biological activities of eugenol,
curcumin and cinnamic aldehyde and their combined products: Synergism
between natural products for human body’s immunity
Abstract
DFT/B3LYP calculations have been carried on natural products of eugenol
(clove) cinnamic aldehyde (cinnamon) and curcumin (curcuma) and on their
various combinations predicting their biological activities. Our
findings show that the presence of either cinnamic aldehyd or curcumin
ameliorates the biological activities with the regard to the calculated
chemical descriptors. The molecular structures of the studied compounds
are evaluated on the basis of the intermolecular interactions which are
governed by hydrogen bonds. The cinnamic aldehyde synergizes well with
the curcumin as combinations of two and with curcumin and ascorbic acid
as three components seeing the resulting chemical descriptors, in
agrrement with the reduction the HOMO-LUMO gaps and suggesting numerous
and interesting biological activities. However, eugenol exhibits low
chemical descriptors as individual compound and combined with either
ascorbic acid or hesperidin. The combined complexes of cinnamic aldehyde
could be excellent blood thinners with the regard to their polarity’s
enhancement. The combined compounds of cinnamon and curcuma should have
broad biological properties that advance human health and help to reduce
the menace of diseases.