A molecular modeling investigation using DFT studies to examine the interaction between a melanin pigment and a Buckwheat

Abstract

This study presents a summary of the use of buckwheat with its melanin pigment composition in human skin. The internal energy of buckwheat, as determined by the density functional function of molecular studies using the Goussian 09 and Hyperchem 08 programs, exhibited a value that was found to be nearly identical to that of melanin, which was found to be (-1109 Hartree, -1101 Hartree), respectively. To corroborate these findings, the molar number of buckwheat was incorporated in a ratio of 1:2, resulting in a notable reduction in polar moment by 1.759730 Debye. This was accompanied by an increase in stability and a decrease in polar moment, which in turn led to a reduction in activity and a limitation of the effect of UV radiation on melanin pigment.