Focused On-demand Library for Caspase recruitment domain-containing protein 9

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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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

Q9H257

UPID:

CARD9_HUMAN

Alternative names:

Alternative UPACC:

Q9H257; Q5SXM5; Q5SXM6; Q9H854

Background:

Caspase recruitment domain-containing protein 9 (CARD9) is a pivotal adapter protein that orchestrates innate immune responses against fungal pathogens. It facilitates signaling complexes downstream of C-type lectin receptors, crucial for antifungal immunity, especially against Ascomycota fungi. CARD9's activation leads to the recruitment of BCL10 and MALT1, triggering NF-kappa-B and MAP kinase pathways, which are instrumental in the expression of pro-inflammatory cytokines and chemokines.

Therapeutic significance:

CARD9's role in immunodeficiency 103, characterized by susceptibility to fungal infections, underscores its therapeutic potential. The protein's involvement in immune responses and fungal clearance, particularly Candida albicans, highlights the possibility of targeting CARD9 pathways for innovative treatments against fungal infections and related immunodeficiencies.