Focused On-demand Library for Complement decay-accelerating factor

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.

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P08174

UPID:

DAF_HUMAN

Alternative names:

Alternative UPACC:

P08174; B1AP14; D3DT83; D3DT84; E7ER69; P09679; P78361; Q14UF2; Q14UF3; Q14UF4; Q14UF5; Q14UF6

Background:

The Complement decay-accelerating factor (DAF), encoded by the CD55 gene, plays a crucial role in the immune system by regulating complement activation. It prevents the formation of C3 and C5 convertases, thereby inhibiting the complement cascade, a series of reactions essential for immunity and inflammation. DAF also serves as a receptor for various pathogens, including Coxsackievirus and Echovirus, highlighting its importance in microbial infection defense.

Therapeutic significance:

DAF's involvement in Complement hyperactivation, angiopathic thrombosis, and protein-losing enteropathy (CHAPLE) disease, due to biallelic mutations in the CD55 gene, underscores its therapeutic potential. Targeting DAF's regulatory mechanisms could lead to innovative treatments for CHAPLE, offering hope for patients suffering from this debilitating condition.