Busca in silico de marcadores químicos de cúrcuma longa L. com propriedades antidepressivas

Abstract

Drugs against depression need improvement, as their side effects appear at the beginning of treatment, while the expected effects only appear after a latency period, compromising efficacy and adherence to treatment. Saffron, Curcuma longa L., has been used since ancient times for its various culinary and therapeutic properties, with promising psychopharmacological properties for the treatment of depression. In this context, the objective of this study is to use bioinformatics that can contribute through several tools, among them, the in silico screening of molecules with antidepressant potential, by pharmacophoric similarity, making the process safer, faster, and more systematic. For this purpose, a pharmacophoric race was performed with each class of antidepressant, selecting those races with the highest score and/or the greatest number of molecules sharing common characteristics. Then, through visual evaluation, turmeric molecules with structural characteristics similar to antidepressants were selected. The group of curcuminoids and terpecurcuminoids showed greater similarity of chemical and spatial characteristics with antidepressants, configuring an important contribution to future scientific research in depth on their molecular structures, interactions, mechanism of action and therapeutic potential in the treatment of depression.