Toxicity Parameters

Toxicity Parameters

This section predicts the potential for the drug to cause harm. A "positive" result here is bad.

Figure 1 below shows the toxicity parameters of Aspirin.

hERG Inhibition

• Definition: Prediction of blockage of the human Ether-à-go-go-Related Gene potassium channel.

• Importance: hERG inhibition is associated with cardiac arrhythmia and QT prolongation.

• Aspirin Profile: Aspirin is not a hERG inhibitor, consistent with its favorable cardiac safety profile (Figure 1).

Mutagenicity (Ames Test)

• Definition: Prediction of bacterial reverse mutation assay results, indicating genotoxic potential.

• Importance: Identifies compounds that may cause DNA damage and genetic mutations.

• Aspirin Profile: Aspirin is predicted to be non-mutagenic, which aligns with historical safety data.

Hepatotoxicity

• Definition: Prediction of drug-induced liver injury.

• Importance: Liver toxicity is a common reason for drug withdrawal from the market.

• Aspirin Profile: Aspirin may cause mild, reversible hepatotoxicity at high doses but is generally considered safe at therapeutic doses.

Rat Acute Oral Toxicity (LD₅₀)

• Importance: Predicts the lethal dose for 50% of a test population (rats). It gives a quantitative measure of acute toxicity. A lower LD₅₀ value means the substance is more toxic. The value is shown in mol/kg.

• Desirable Range: A higher LD₅₀ is safer.

• Aspirin Profile: Predicted LD₅₀ is ~0.346 mol/kg.