Investigação in silico de candidatos da espécie Annona coriacea com efeito no sistema nervoso central

Abstract

Annona coriacea, known by names such as "araticum", "araticum smooth" and "marolo", is a plant popularly used for its antiprotozoal, antirheumatic, anthelmintic, and anti-inflammatory properties, among others. Studies with mice showed anxiolytic and antidepressant activity. This study sought to identify and elucidate the potential mechanisms involved in the activities above. The method of choice employed to predict biological activity, pharmacodynamics, and toxicity was in silico tools. In addition, docking and redocking were performed. Among 28 eligible compounds, 2 were the most promising, trigonelline and gallic acid. This study opens perspectives for in vitro and in vivo studies with these isolated structures. Keywords: Trigonellin; gallic acid; molecular docking; natural products.