Quantum analysis on the PI3K/AKT/mTOR-NF-κB pathway inhibition on DLBCL treatment

Diffuse large B cell lymphoma (DLBCL) is the most common form of non-Hodgkin lymphoma and is classified through gene expression profiling into major subtypes based on cell of origin and differences in clinical outcome: germinal centre B-cell-like (GCB), activated B-cell-like (ABC) and primary mediastinal B-cell type1. Although about 60% of cases are curable with combination therapy (R-CHOP), all other patients will relapse or develop refractory disease with increased mortality2. In this ongoing work, tools of structural bioinformatics (classical end quantum methods3) are being employed to explore the structural and electronic features of target proteins isoforms and mutants related to subtypes of DLBCL with focus on the PI3K/AKT/mTOR e NF-κB pathways. We hope these data will help unveiling key structural information about the resistance mechanism involved in DLBCL, especially related to PI3K-alpha and -delta isoforms and mutants. This information should be valuable for the design of new specific and selective drugs.