In silico evaluation of p-ANAPL library against inhibiting the cognate isoform cyclooxygenase Cox-2
The results indicate that two compounds of a library 152CSB2 and Thix6g exhibit significant potential as selective COX-2 inhibitors, with 152CSB2 showing as the most favourable, combining stable binding modes, favourable ADMET characteristics, and distinct electronic profiles that may underlie their enhanced activity.