AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for HLA class II histocompatibility antigen, DP alpha 1 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.

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.

Our top-notch dedicated system is used to design specialised libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

P20036

UPID:

DPA1_HUMAN

Alternative names:

DP(W3); DP(W4); HLA-SB alpha chain; MHC class II DP3-alpha; MHC class II DPA1

Alternative UPACC:

P20036; A9YWH7; B9UKH4; O19722; O46883; P01905; P79554; Q2Q060; Q2Q061; Q5EY03; Q5STP1; Q6DQK4; Q9BCQ1; Q9TPX3; Q9XS10

Background:

The HLA class II histocompatibility antigen, DP alpha 1 chain, known by alternative names such as DP(W3), DP(W4), and HLA-SB alpha chain, plays a crucial role in the immune system. It binds peptides from antigens processed via the endocytic route, presenting them on APC surfaces for CD4 T-cell recognition. This process is vital for the exogenous antigen presentation pathway, involving the formation of a heterononamer with CD74 in the ER, followed by antigen processing in the endosomal/lysosomal system.

Therapeutic significance:

Understanding the role of HLA class II histocompatibility antigen, DP alpha 1 chain, could open doors to potential therapeutic strategies.

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