IN-SY EVALUATION OF A BIOACTIVE MOLECULE OF ALOE VERA IN THE PREVENTION/TREATMENT OF MELASMA

Abstract

Melasma is one of the skin disorders that have pathophysiology associated with genetic or environmental predisposing factors. The current options for melasma interventions available often produce unwanted side effects and suboptimal results. And so, there is a demand for cosmetics, mainly of the natural base. Aloe vera is one of the most manipulated plants in skincare products worldwide, it is a succulent plant commonly used for biomedical, pharmaceutical, and cosmetic applications and is believed to act as na effective immunomodulator and assist both in prevention as a promising treatment for melasma. Therefore, this article aimed to demonstrate, through molecular docking, the interactions between a bioactive molecule present in Aloe vera and the main targets involved in melasma. The ligand studied was Acemanann, in which the structure was found in the PubChem base, and the main targets analyzed were the enzyme Tyrosinase and protein kinase C beta, whose structures were acquired at the Protein Data Bank. Docking was performed using the SwissDock program. The results showed spontaneity in the linker-target interactions and it was possible to identify several molecular links of importance between the bioactive molecule of Aloe vera and targets of interest presenting hydrogen bonds in various amino acid residues. Therefore, the prediction of the efficiency of Aloe vera in preventing/treating melasma at the molecular level is proven, since the interaction shown leads to the blocking of the proteins involved consequently, to the blocking of the melanogenesis process.