In Vivo Anti‐Nociceptive Activity of Isoquercetin in Rats Supported by ADMET and Molecular Docking Analysis

Abstract

This study aims to evaluate the anti‐nociceptive activity of isoquercetin (IQN) in rats and to determine its mechanism of action using molecular docking. The preliminary study was conducted to determine physicochemical and pharmacological parameters of IQN, an in vitro method was used to assess its antioxidant capacity. Behavioral tests were carried out to evaluate its anti‐nociceptive activity and an in silico molecular docking study was performed to understand the molecule's mechanism of action. The preliminary study demonstrated that IQN is nontoxic to metabolism and organs, with an LD50 of 5000 mg/kg, and does not present neuromuscular toxicity. Furthermore, the molecule showed a strong antioxidant capacity. The evaluation of anti‐nociceptive activity in rats revealed a significant anti‐inflammatory effect of IQN. The molecular docking identified a specific action on cyclooxygenases. Thus, IQN appears to be a promising candidate for the treatment of inflammatory pain, supported by its wide safety margin, potent antioxidant.