AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for C-type lectin domain family 1 member B

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.

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised 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

Q9P126

UPID:

CLC1B_HUMAN

Alternative names:

C-type lectin-like receptor 2

Alternative UPACC:

Q9P126; Q6UWX7; Q8NHR6

Background:

C-type lectin domain family 1 member B, alternatively known as C-type lectin-like receptor 2, plays a pivotal role in platelet activation through its interaction with PDPN. This interaction triggers a cascade involving SRC and SYK tyrosine kinases, culminating in PLCG2 activation. Additionally, it serves as a receptor for rhodocytin from snake venom and HIV-1, facilitating platelet aggregation and virus capture, respectively.

Therapeutic significance:

Understanding the role of C-type lectin domain family 1 member B could open doors to potential therapeutic strategies. Its involvement in platelet activation and pathogen interaction highlights its potential as a target for modulating immune responses and preventing pathogen spread.

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