Evaluación de la cardiotoxicidad de los fitoquímicos presentes en el Aconitum napellus utilizando modelos QSAR

Abstract

Introduction: Aconitum napellus is a native plant from Europe and Asia that has been historically used in traditional medicine for its recognized analgesic properties. However, it is also known for its toxicity, since its inadequate intake can cause harmful effects, including cardiotoxicity. However, not all the phytochemicals present in the plant have been fully evaluated. Objective: To evaluate the cardiotoxicity of phytochemicals found in Aconitum napellus using QSAR models. Methodology: Basic, quantitative and explanatory research studying 111 phytochemicals of Aconitum napellus using QSAR models available at ADMETLab and PredhERG. Results: A total of 111 phytochemicals found in the Lotus database were analyzed, all of them present in Aconitum napellus, including aconitine and its isomers, which stood out for their cardiotoxic potential derived from the blockade of the hERG protein. Conclusion: The study confirmed the cardiotoxicity mainly of the alkaloids, aconitine, its isomers or analogues, which have a high probability of blocking the hERG protein.