Focused On-demand Library for Tyrosine-protein kinase Blk

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

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

P51451

UPID:

BLK_HUMAN

Alternative names:

B lymphocyte kinase; p55-Blk

Alternative UPACC:

P51451; Q16291; Q96IN1

Background:

Tyrosine-protein kinase Blk, also known as B lymphocyte kinase or p55-Blk, plays a pivotal role in B-lymphocyte development, differentiation, and signaling. It is crucial for transmitting signals through the B-cell antigen receptor (BCR), supporting B-cell activation, and facilitating the transition from pro-B to pre-B cells. Blk's activity includes phosphorylation of CD79A, CD79B, and immunoglobulin G receptors, contributing to NF-kappa-B activation and BTK activation in B-cell signaling pathways.

Therapeutic significance:

Blk's involvement in Maturity-onset diabetes of the young 11, a form of diabetes with an autosomal dominant inheritance and onset in early adulthood, highlights its therapeutic potential. Understanding Blk's role in insulin secretion modulation and beta-cell function could pave the way for innovative treatments for this and related metabolic disorders.