Evaluación del potencial cardiotóxico de los fitoquímicos de la planta Urginea marítima mediante los métodos computacionales.

Abstract

Introduction: This research evaluated the cardiotoxic activity of phytochemicals from Urginea maritima, which is traditionally used in herbal medicine. However, the therapeutic application of these compounds requires a rigorous evaluation of their potential side effects. In the cardiovascular system, the crucial aspect to consider is the interaction of these phytochemicals with the hERG channel of the heart. Objective: To evaluate the cardiotoxicity of phytochemicas from U. maritima in humans, using Quantitative Structure Activity Relationship (QSAR) tools. Methodology: A quantitative and descriptive experimental research design was used to develop this research. A methodological approach including virtual tools such as QSAR, Pred-hERG, and ADMETlab 2.0, was used to predict the cardiotoxicity of the identified compounds. Results: It is suggested that certain phytochemicals from U. maritima, in addition to those already known, may have cardiotoxicity in humans. It was found that 23 phytochemicals act as blockers of the hERG channel in the myocardium. Among these, the top 10 with the highest reliability index were selected, with five molecules grouped in the bufadienolides group, one belonging to the glycosides, and another to the diterpenoids; for the remaining three, no literature was found that classified them. Conclusion: The need to continue contributing to the published scientific literature on these new advancements and consolidation approaches was corroborated, due to the limited information available on several of the compounds present in these medicinal plants, for which there is still no evidence on their cardiotoxicity.