Introduction: Amidst the numerous effective therapeutic options available for the treatment of Diffuse
Large B-cell Lymphoma (DLBCL), about 30-40% of patients treated with first-line chemoimmunotherapy
still experience a relapse or refractory DLBCL. This has necessitated a continuous search for new therapeutic
agents to augment the existing therapeutic arsenal.
Methods: The dawn of Computer-Aided Drug Design (CADD) in the drug discovery process has accounted for
persistency in the application of computational approaches either alone or in combinatorial strategies with experimental
methods towards the identification of potential hit compounds with high therapeutic efficacy in abrogating
Results: This review showcases the interventions of structure-based and ligand-based computational approaches
which have led to the identification of numerous small molecule inhibitors against implicated targets in DLBCL
therapy, even though many of these potential inhibitors are piled-up awaiting further experimental validation
Conclusion: We conclude that a successful and a conscious amalgamation of CADD and experimental approaches
could pave the way for the discovery of the next generation potential leads in DLBCL therapy with
improved activities and minimal toxicities.