Focused On-demand Library for Erythropoietin

Focused On-demand Libraries - Receptor.AI 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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 screening 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
Receptor.AI
 
UPACC
P01588

UPID:
EPO_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P01588; Q2M2L6; Q549U2; Q9UDZ0; Q9UEZ5; Q9UHA0

BACKGROUND:
The protein Erythropoietin, with the recommended name 'Erythropoietin' and accession number P01588, is crucial for the regulation of red blood cell production. It achieves this by interacting with its receptor, EPOR, to initiate a signaling pathway that includes the activation of JAK2 and the STAT1 and STAT3 proteins, leading to the proliferation and differentiation of erythrocytes.

THERAPEUTIC SIGNIFICANCE:
Given Erythropoietin's critical role in conditions like Microvascular complications of diabetes 2, familial Erythrocytosis, and Diamond-Blackfan anemia-like, its study and manipulation offer promising avenues for therapeutic intervention. The hormone's ability to influence erythrocyte mass and its direct association with these diseases underscore its potential in developing treatments aimed at mitigating hematologic and microvascular complications.

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