This study aims to identify new NNRTI inhibitors of the reverse transcriptase enzyme, which is an important target for developing HIV drugs. The researchers use chemoinformatics tools to screen a database of compounds and identify potential inhibitors based on their predicted binding affinity to the target enzyme. The identified compounds will then undergo molecular dynamics simulations with the most common mutations found in the reverse transcriptase enzyme. These simulations will provide insights into the stability and dynamics of the inhibitor-enzyme complex and help optimize the design of new NNRTI inhibitors. This research has the potential to identify new compounds for the development of more effective anti-HIV drugs.