AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for B-cell linker protein

Available from Reaxense
Predicted by Alphafold

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q8WV28

UPID:

BLNK_HUMAN

Alternative names:

B-cell adapter containing a SH2 domain protein; B-cell adapter containing a Src homology 2 domain protein; Cytoplasmic adapter protein; Src homology 2 domain-containing leukocyte protein of 65 kDa

Alternative UPACC:

Q8WV28; O75498; O75499; Q2MD49

Background:

The B-cell linker protein, known for its pivotal role in B-cell development and function, acts as a central connector downstream of the B-cell receptor. It facilitates signaling pathways crucial for B-cell maturation, including ERK/EPHB2, MAP kinase p38, and JNK activation. This protein is instrumental in NF-kappa-B and NFAT activation, PLCG1 and PLCG2 activation, and Ca(2+) mobilization, highlighting its significance in immune response regulation.

Therapeutic significance:

Linked to Agammaglobulinemia 4, an autosomal recessive condition characterized by severe B-cell development blockage, the B-cell linker protein's dysfunction underscores its therapeutic potential. Understanding its role could pave the way for innovative treatments targeting primary immunodeficiencies, offering hope for patients with compromised immune systems.

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