AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for HLA class II histocompatibility antigen, DR beta 5 chain

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

 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.

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

Q30154

UPID:

DRB5_HUMAN

Alternative names:

DR beta-5; DR2-beta-2; Dw2; MHC class II antigen DRB5

Alternative UPACC:

Q30154; B2RBV6; C7C4X3; O00157; O00283; O46700; Q29703; Q29787; Q29788; Q30126; Q30150; Q30199; Q6SJR2; Q7M2H9; Q8HWS7; Q8WLR5; Q9MY54; Q9XRX6

Background:

HLA class II histocompatibility antigen, DR beta 5 chain, known as DR beta-5, DR2-beta-2, Dw2, and MHC class II antigen DRB5, 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 peptide generation through lysosomal degradation. MHC class II molecules also interact with CD74 in the ER, forming a complex that undergoes processing to present antigens effectively.

Therapeutic significance:

Understanding the role of HLA class II histocompatibility antigen, DR beta 5 chain, could open doors to potential therapeutic strategies.

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