AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for HLA class I histocompatibility antigen, B alpha chain

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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

P01889

UPID:

HLAB_HUMAN

Alternative names:

Human leukocyte antigen B

Alternative UPACC:

P01889; A0A2I6Q7B5; B0V0B8; G3GN01; O02862; O02956; O02957; O02960; O19555; O19556; O19595; O19615; O19624; O19625; O19627; O19641; O19651; O19675; O19692; O19758; O19779; O19783; O46702; O62897; O62901; O62915; O62917; O62919; O77933; O77959; O78053; O78138; O78160; O78163; O78172; O78173; O78180; O78217; O95730; O98140; P01890; P03989; P10317; P10318; P10319; P10320; P18463; P18464; P18465; P19373; P30460; P30461; P30462; P30463; P30464; P30465; P30466; P30467; P30468; P30469; P30470; P30471; P30472; P30473; P30474; P30475; P30476; P30477; P30478; P30479; P30480; P30481; P30482; P30483; P30484; P30485; P30486; P30487; P30488; P30489; P30490; P30491; P30492; P30493; P30494; P30495; P30496; P30497; P30498; P30513; P30685; P79489; P79490; P79496; P79504; P79523; P79524; P79542; P79555; Q04826; Q08136; Q29633; Q29636; Q29638; Q29661; Q29665; Q29678; Q29679; Q29681; Q29693; Q29695; Q29697; Q29718; Q29742; Q29749; Q29762; Q29764; Q29829; Q29836; Q29842; Q29845; Q29846; Q29847; Q29848; Q29850; Q29851; Q29852; Q29854; Q29855; Q29857; Q29858; Q29861; Q29924; Q29925; Q29933; Q29935; Q29936; Q29940; Q29953; Q29961; Q29982; Q30173; Q30198; Q31603; Q31610; Q31612; Q31613; Q546L8; Q546M4; Q5JP37; Q5QT24; Q5RIP1; Q5SRJ2; Q5TK76; Q5TK77; Q860I4; Q861B5; Q8HWF0; Q8MGQ3; Q8MHN4; Q8SNC5; Q95343; Q95344; Q95365; Q95369; Q95392; Q95HA3; Q95HA8; Q95HM9; Q95IA6; Q95IB8; Q95IH5; Q95J00; Q96IT9; Q9BCM6; Q9BCM7; Q9BCM8; Q9BD06; Q9BD38; Q9BD43; Q9GIL3; Q9GIM3; Q9GIX1; Q9GIY5; Q9GIZ0; Q9GIZ9; Q9GJ00; Q9GJ17; Q9GJ20; Q9GJ23; Q9GJ31; Q9GJF0; Q9GJM7; Q9MX21; Q9MY37; Q9MY42; Q9MY43; Q9MY61; Q9MY75; Q9MY78; Q9MY79; Q9MY84; Q9MY92; Q9MY93; Q9MY94; Q9MYB8; Q9MYC3; Q9MYC7; Q9MYF4; Q9MYG1; Q9TP35; Q9TP36; Q9TP37; Q9TP95; Q9TPQ7; Q9TPQ9; Q9TPR2; Q9TPR4; Q9TPS6; Q9TPT2; Q9TPT4; Q9TPT6; Q9TPV2; Q9TQG1; Q9TQH3; Q9TQH6; Q9TQH7; Q9TQH8; Q9TQH9; Q9TQM2; Q9TQN4; Q9TQN6; Q9UQS8; Q9UQT0

Background:

The Human Leukocyte Antigen B (HLA-B) is a crucial component of the immune system, playing a pivotal role in antigen presentation. It presents viral and tumor-derived peptides to CD8-positive T cells, guiding the immune response to eliminate infected or transformed cells. HLA-B's ability to present a wide array of peptides, including those from HIV, EBV, and SARS-CoV-2, underscores its importance in immune surveillance.

Therapeutic significance:

HLA-B's involvement in diseases like Stevens-Johnson syndrome and Spondyloarthropathy 1 highlights its therapeutic potential. Understanding the role of HLA-B could open doors to potential therapeutic strategies, particularly in developing treatments for autoimmune diseases and enhancing vaccine efficacy.

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