Focused On-demand Library for DENN domain-containing protein 1B

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.

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 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.

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

Q6P3S1

UPID:

DEN1B_HUMAN

Alternative names:

Connecdenn 2; Protein FAM31B

Alternative UPACC:

Q6P3S1; B5MD89; D3PFD5; Q5T3B8; Q5T3B9; Q5T3C1; Q5TAI8; Q6B0I8; Q8NDT1; Q8TBE6; Q9H774; Q9NXU2

Background:

DENN domain-containing protein 1B, also known as Connecdenn 2 or Protein FAM31B, plays a pivotal role in immune response regulation. It functions as a Guanine nucleotide exchange factor (GEF) for RAB35, facilitating T-cell receptor (TCR) internalization in TH2 cells. This protein is integral to clathrin-mediated endocytosis, influencing cytokine production by controlling TCR routing to endosomes.

Therapeutic significance:

Given its crucial role in TCR internalization and cytokine production in TH2 lymphocytes, DENN domain-containing protein 1B is implicated in asthma, a complex genetic disorder. Understanding the protein's function could lead to novel therapeutic strategies for managing asthma, focusing on enhancing TCR down-modulation and recycling.