Predicting the Toxicity In Silico of the Aqueous Extract of Chiranthodendron pentadactylon Flowers. Experimental Evaluation In Vivo

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Abstract
Chirantodendron pentadactylon L., known in Mexico City as “flor de manita”, is a plant native to Mexico that is used traditionally in gastrointestinal, cardiovascular, and neurological diseases. This study looked at its potential toxicity using computer models and animal testing. Many people believe that “natural” means “safe,” but this can lead to unregulated use and health risks because some compounds can be toxic. Using computer-based toxicology, researchers analyzed thirty-eight compounds from the flowers of Ch. pentadactylon. They found that 65.8% of the compounds were potentially harmful to the liver, 63.1% mutagenic, 63.5% carcinogenic, 7.8% posed risks to the heart, and 15.7% could affect reproduction. However, 84.2% of these compounds had predicted lethal doses (LD₅₀) greater than 1000 mg/kg. In tests on CD1 mice using water extracts, there were no signs of toxicity or death at doses up to 5000 mg/kg. The Integrative Toxicity Prediction Model suggests that the dried water extract (AEDF) is safe, with a protection value of 0.5332 compared to a toxicity value of 0.0395. This resulted in a safety-to-risk ratio of 13.5. A further analysis estimated a 38.45% chance of toxicity and a 61.55% chance of non-toxicity, placing the extract in a low-risk category for toxicity. These findings suggest that predicting toxicity from single ingredients might overstate the dangers of using combined plant materials. The safety of this plant appears to come from the high levels of beneficial compounds that protect against toxic effects. More long-term studies are needed to check for any cumulative risks.

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