Calculated active forms of hydrolyzed to the amine amygdalin by TD-DFT in an environment of GAMESS US

article - DOI: 10.2174/1871520620666200313163801
monograph - DOI: 10.5281/zenodo.7295357 | ISBN: 978-619-91534-4-4
ATLAS - presentation of the finale information in the most applied and convenient form of application - DOI: 10.5281/zenodo.8009390 | ISBN: 978-619-91534-5-1

...Each of the enzyme reactions has an analogue also in the in vivo medium, and thus the following hypothetical active forms stand out.

Chemical bond of type: -N(H)-OC(O)- between the two derivatives of Amygdalin is possible, but it's a statistical error. Under standard physiological conditions in the body, the presence of the carboxyl derivative is not a hindrance factor, but on the contrary, it would stabilize the reactions of the amine derivative of Amygdalin to some extent due to its well-expressed proton activity.

After exposure of the above and adopting the approximation that the amide group will identify all of the activity of the active forms of the substance, it can be referred concentrations for the treatment of pellagra with nicotinamide to dose ranging and for the test substance. It is important to note that the approximation for nicotinamide is only made in terms of the mass of its amide group to the mass of the whole molecule (not evaluating the reactions of the nitrogen atom in the pyridine ring, as in the case of Nicotinamide riboside, etc.)...