Effect of Quinovic Acid on Antioxidant, Antidiabetic, Anti‐Inflammatory, and Anticancer Activities‐ In Vitro and In Silico Approaches

ABSTRACT Quinovic acid is a naturally occurring triterpenoid known for its diverse pharmacological properties and therapeutic potential. The present study investigated the pharmacokinetic profile, antioxidant, antidiabetic, anti‐inflammatory, anticancer, molecular docking, and molecular dynamics simulation characteristics of quinovic acid. ADME analysis performed using admetSAR 3.0 demonstrated that quinovic acid possesses moderate drug‐likeness (50.33%) with a molecular weight of 486.69 Da. The compound exhibited high lipophilicity (SlogP = 6.15), moderate blood‐brain barrier permeability, high plasma protein binding, and interactions with multiple cytochrome P450 enzymes, suggesting possible drug–drug interactions and influencing its pharmacokinetic behavior. In vitro antioxidant studies revealed significant free radical scavenging activity in DPPH, ABTS, FRAP, and H 2 O 2 assays, with IC 50 values of 109.52, 76.96, 117.28, and 70.88 µM, respectively. Quinovic acid also demonstrated antidiabetic activity through α‐amylase inhibition, exhibiting an IC 50 value of 60.95 µM. Anti‐inflammatory potential was confirmed using protein denaturation and heat‐induced hemolysis assays, although its efficacy was lower than that of diclofenac sodium. Furthermore, quinovic acid exhibited dose‐dependent cytotoxicity against breast cancer cell lines, with IC 50 values of 98.56 and 150.18 µM, respectively. Molecular docking and molecular dynamics simulations revealed stable interactions with GLP‐1, SOD, IL‐10, and Caspase‐3, highlighting its potential as a promising multi‐target therapeutic agent.