Focused On-demand Library for Blood group Rh(CE) polypeptide

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

P18577

UPID:

RHCE_HUMAN

Alternative names:

Rh polypeptide 1; Rh30A; RhIXB; Rhesus C/E antigens

Alternative UPACC:

P18577; A7DW68; B7UDF3; B7UDF4; B7UDF5; B7UDF6; B7UDF7; B7UDF8; B7UDF9; B7UDG0; B7UDG1; B7UDG2; B7UDG3; Q02163; Q02164; Q02165; Q16160; Q2MJW0; Q2VC86; Q3LTM6; Q6AZX5; Q6J2U3; Q7RU06; Q8IZT2; Q8IZT3; Q8IZT4; Q8IZT5; Q9UD13; Q9UD14; Q9UD15; Q9UD16; Q9UD73; Q9UD74; Q9UEC2; Q9UEC3; Q9UPN0

Background:

The Blood group Rh(CE) polypeptide, known alternatively as Rh polypeptide 1, Rh30A, RhIXB, and Rhesus C/E antigens, plays a crucial role in the stability and shape of the erythrocyte membrane. It is a component of the ankyrin-1 complex, essential for mediating the primary membrane attachment site for ANK1 in association with RHAG. This protein is also implicated in the transport of ammonium and carbon dioxide.

Therapeutic significance:

The Rh(CE) polypeptide is linked to Rh-null, amorph type, a condition marked by hemolytic anemia and adverse reactions to transfusion or pregnancy due to the absence of Rh antigens. Understanding the role of Blood group Rh(CE) polypeptide could open doors to potential therapeutic strategies for managing this condition.