Focused On-demand Library for B-lymphocyte antigen CD19

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries for protein-protein interfaces.

Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the target alone and in complex with its most relevant partner proteins, followed by ensemble virtual screening that accounts for conformational mobility in free and bound forms. The tentative binding pockets are considered on the protein-protein interface itself and in remote allosteric locations in order to cover the whole spectrum of possible mechanisms of action.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P15391

UPID:

CD19_HUMAN

Alternative names:

B-lymphocyte surface antigen B4; Differentiation antigen CD19; T-cell surface antigen Leu-12

Alternative UPACC:

P15391; A0N0P9; F5H635; Q96S68; Q9BRD6

Background:

B-lymphocyte antigen CD19, also known as B-lymphocyte surface antigen B4, Differentiation antigen CD19, and T-cell surface antigen Leu-12, plays a pivotal role in the immune system. It functions as a coreceptor for the B-cell antigen receptor complex on B-lymphocytes, facilitating the activation of signaling pathways crucial for B-cell responses to antigens. This protein is essential for the differentiation and proliferation of B-cells in response to antigen challenges, as well as for the production of high-affinity antibodies.

Therapeutic significance:

Given its critical role in B-cell function and immune response, CD19 is directly implicated in Immunodeficiency, common variable, 3, a disease characterized by antibody deficiency and recurrent bacterial infections. Targeting CD19 could offer novel therapeutic strategies for managing this immunodeficiency and enhancing vaccine efficacy.