In Silico and In Vivo Toxicological Evaluation of Paeonol

Abstract Paeonol is a phenolic compound reported for its various pharmacological activities such as antioxidant, anti‐inflammatory and antidiabetic activity. There are no systematic scientific reports on the in vivo toxicity of paeonol. So, the present work was designed to study in silico and in vivo toxicity of paeonol. In silico toxicity predictions were carried out using pkCSM, ProTox‐II, pre‐ADMET server and OSIRIS property explorer. Acute oral toxicity study of paeonol was carried out in female Sprague Dawley rats at a single dose of 300 mg/kg, 2000 mg/kg and 5000 mg/kg. Animals were observed for toxicity signs and mortality for 14 days. Repeated dose oral toxicity study of paeonol was carried out in female and male Sprague Dawley rats at a dose of 50, 100 and 200 mg/kg body weight for 28 days. At the end of the study, hematological, biochemical and urine parameters were assessed. Histopathology of vital organs was also carried out. In silico toxicity study predicted that paeonol is non‐toxic. The maximally tolerated dose of paeonol was found to be 5000 mg/kg in acute toxicity study in female rats. Paeonol was found to be safe at a dose of 50, 100 and 200 mg/kg in repeated dose toxicity study in male and female rats.