Elucidación computacional del posible mecanismo de acción antioxidante de compuestos bioactivos de la miel

Abstract:

The discovery of new drugs is one of the fields that more demand of time and money requires, therefore we need more tools to reduce the time of generation of a new drug as well as preventing the presence of unwanted interactions. For this reason, bioinformatics methods have been developed to accelerate this process by providing us computational knowledge to elucidate and simulate new drug development mechanism. Honey bee is a natural compound that has been used for a long time as a medicinal source. It has several properties such as antiinflammatory, antioxidant, angiogenic, antimicrobial, among others. One of the most frequent causes of diseases are the formation of free radicals, which accumulation leads to oxidative stress that is generated by the energy imbalance of cells affecting lipids, proteins and DNA. Thus, it has been observed that honey acts as antioxidant due to the number of bioactive compounds that it contains such as polyphenols and flavonoids. However, despite the existing evidence of its benefits, it has not yet been possible to determine the mechanism of action.The objective of this investigation was to clarify the mechanism of action that the bioactive compounds of honey follow to produce their antioxidant effect. Computational tools such as Target Fishing were used. The pbkp_rediction of 514 targets was achieved. An enrichment analysis was performed with this data to study the biological processes and metabolic pathways. The main biological processes identified for the compounds were the response to drugs, membrane disassembly, aging and protein phosphorylation. For the analyses of metabolic pathways, the RSpider server was used, which condenses the list of genes into an integrative network and associates them with different metabolic pathways. In this way, it was determined that to decide an antioxidant effect, the compounds follow several routes in which the metabolism of arachidonic acid, nitrogen metabolism, among others, are involved. The main conclusion of our study is that there is not only one antioxidant mechanism for the studied compounds.

Año de publicación:

2018

Keywords:

• Compuestos orgánicos
• REACCIONES QUIMICAS
• AGENTES OXIDANTES

Fuente:

rraae