Insilico tools in the prediction of novel coumarin derivatives as potentially active compounds

Early calculation of ADMET properties direct to a major cost reduction in drug research. Coumarin and its derivatives are significant because of their wide spectrum of biological activities such as anticancer, antioxidant, antimicrobial and antifungal activities. The most commonly prescribed drugs today are painkillers that reduce pain, fever and inflammation Usage of NSAIDs are found to be at greater risk of developing serious gastro-intestinal (GIT) adverse effects. Hence, it is mandatory to improve the safety profile of NSAIDs or to discover better alternatives. In this study, weanalyzed3-acetyl coumarin derivatives for in silico ADMET properties to found oral drug like activities the and protein targets by using Swiss ADME, pkCSM, OSIRIS, Molinspiration, and Swiss Target Prediction Software’s and showed acceptable results. Molecular docking investigations of designed coumarin derivatives With a known biological target named Cyclooxygenase2displayed remarkable inhibition ability with the binding energy of −9.9 kcal/mol (1(a-h),2(a-e)) than standard indomethacin for possible therapeutic applications.