Toxicological Profiling of Natural Bioactive Compounds Using PubChem Database and Relevant Literature

Natural bioactive compounds have gained increasing attention for their pharmacological properties and therapeutic potential. However, understanding their toxicological profiles is crucial for assessing their safety and potential applications. This study aimed to assess the toxicological profiles of selected natural compounds using LD50 values and literature-based evaluations. Toxicity data were collected from the PubChem database and scientific literature, covering various administration routes and model organisms. The toxicological assessment revealed varying LD50 values among bioactive compounds, with toxicity influenced by structure, organism, and administration route. Compounds like ellagic acid, swertiamarin, and verbascoside exhibited high safety margins, whereas angelicin, xanthotoxol, and senegenin showed lower LD50 values, indicating greater toxicity. Route of administration significantly influenced toxicity; for example, bakuchiol and osthol were more toxic via intraperitoneal or intravenous injection than oral administration. Literature findings further supported these trends, highlighting species and dose-dependent effects. Some compounds also showed model-specific toxicity despite therapeutic potential. Toxicity varied significantly depending on the route of administration; for example, bakuchiol and osthol exhibited higher toxicity when administered intraperitoneally or intravenously compared to oral administration, indicating the importance of the administration route in toxicity profiling.