Focused On-demand Library for Desmoglein-1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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

Q02413

UPID:

DSG1_HUMAN

Alternative names:

Cadherin family member 4; Desmosomal glycoprotein 1; Pemphigus foliaceus antigen

Alternative UPACC:

Q02413; B7Z845

Background:

Desmoglein-1, known as Cadherin family member 4, Desmosomal glycoprotein 1, and Pemphigus foliaceus antigen, plays a crucial role in cell-cell adhesion by being a component of intercellular desmosome junctions. It facilitates the interaction between plaque proteins and intermediate filaments, ensuring cellular cohesion.

Therapeutic significance:

Desmoglein-1 is implicated in Palmoplantar keratoderma 1 and Erythroderma, congenital, with palmoplantar keratoderma, hypotrichosis, and hyper IgE. These conditions highlight the protein's critical role in skin integrity and immune response, suggesting that targeting Desmoglein-1 could lead to novel treatments for these dermatological and immunological disorders.