**3. Results and Discussion**

The 1200-compound library was retrieved from the PubChem database and subjected to SBVS and the FDA drug Dabrafenib. Dabrafenib was maintained as the standard drug to which docking scores of 1200 compounds were compared. It was observed that only four combinations have better docking scores and binding affinity than standard Dabrafenib. These four compounds were considered top hits and subjected to further analysis, including geometry optimization and FMO analysis via density functional theory studies. Moreover, IC50, pIC50, and ADMET properties of the top four compounds were also predicted using deep learning models.
