IN SILICO STUDY OF THE TOXICITY OF CHEMICAL MARKERS OF PHYTOTHERAPEUTICS PRESENT IN RENAME/SUS

Abstract

In 2009, the National List of Medicinal Plants of Interest to the SUS (RENISUS) was published, with 71 plants used empirically throughout the country with economic and medicinal potential. Of these, 12 were released and published in the RENAME (National List of Essential Medicines) for use from 2012.  The in silico methodology makes it possible to predict the toxicity of chemical substances using computer algorithms. This study aims to analyze the toxicity of herbal medicines published in the RENAME, using VEGA QSAR v.1.2.4 software, allowing the identification of possible risks to human health. The chemical markers that showed the highest number of positive results were epicatechin (sea buckthorn) and daidzein (soy isoflavone)