A novel method for producing NSAIDs is the use of COX-2/5-LOX dual inhibitors, which efficiently block inflammatory mediators from the cyclooxygenase and lipoxygenase pathways with fewer side effects. In the current work, 63 molecules with experimentally determined IC50 values for COX-2/5-LOX inhibition were collected and developed QSAR models. During the 2D QSAR study, one statistical model each were chosen for COX-2 inhibition (R^2=0.9308 and Q^2=0.8936 ) and for 5-LOX inhibition R^2=0.9209 and Q^2=0.8879 ). These models were used for virtual screening for finding out new COX-2/5-LOX new inhibitor leads. In addition, docking studies were performed to quantify the binding affinity of eligible query compounds towards COX-2 and 5-LOX proteins and to uncover the specific interactions that take place between ligands and the proteins. The pharmacodynamic and pharmacokinetic features revealed that molecules VS864, VS865, VS882, VS888, VS895, VS896, VS897, and VS898 said to be taken as best molecules without any hazardous impact, according to all current drug-likeness criteria. To ascertain the binding stabilities, molecular dynamic simulations of the hits were studied. As a result, these compounds can be evaluated as possible COX-2/5-LOX dual inhibitor candidates.