AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for HLA class II histocompatibility antigen, DR beta 3 chain

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We use our state-of-the-art dedicated workflow for designing 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.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P79483

UPID:

DRB3_HUMAN

Alternative names:

MHC class II antigen DRB3

Alternative UPACC:

P79483; A0ZXY9; A7MA46; B5AU12; B5AU13; B5AU14; B8YAC6; C6H115; C6H116; O02875; O19590; O46701; O46794; O78049; O78162; P01913; P79663; Q29721; Q29809; Q2PPD0; Q30144; Q507L8; Q5SP44; Q5STE0; Q6YJU6; Q70M87; Q7YQ62; Q860I9; Q8SP69; Q8WLT7; Q8WLT8; Q95359; Q95HM8; Q95IE5; Q96H16; Q9BCP3; Q9BD18; Q9MYA4; Q9MYH3; Q9MYH4; Q9TP01; Q9TP02; Q9TPB5; Q9TQ21; Q9UIN3; Q9UIN5

Background:

The HLA class II histocompatibility antigen, DR beta 3 chain, known as MHC class II antigen DRB3, plays a pivotal role in the immune system. It presents antigenic peptides to CD4-positive T cells, guiding T-helper effector functions to eliminate infectious agents and transformed cells. This protein is crucial in presenting extracellular peptide antigens and peptides derived from intracellular proteins, highlighting its significance in immune surveillance and tolerance.

Therapeutic significance:

Understanding the role of HLA class II histocompatibility antigen, DR beta 3 chain, could open doors to potential therapeutic strategies. Its ability to present antigenic peptides from pathogens and tumors to CD4-positive T cells makes it a key player in developing vaccines and immunotherapies for infectious diseases, cancer, and autoimmune conditions.

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