Focused On-demand Library for Erythropoietin

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P01588

UPID:

EPO_HUMAN

Alternative names:

Alternative UPACC:

P01588; Q2M2L6; Q549U2; Q9UDZ0; Q9UEZ5; Q9UHA0

Background:

Erythropoietin, encoded by the gene with accession number P01588, plays a pivotal role in regulating erythrocyte proliferation and differentiation. This hormone ensures the maintenance of a physiological level of circulating erythrocyte mass by binding to the erythropoietin receptor (EPOR), leading to EPOR dimerization and JAK2 activation. This cascade activates downstream effectors, including STAT1 and STAT3, integral to erythrocyte development.

Therapeutic significance:

Erythropoietin's involvement in diseases such as Microvascular complications of diabetes 2, Erythrocytosis, familial, 5, and Diamond-Blackfan anemia-like highlights its therapeutic potential. Understanding the role of Erythropoietin could open doors to potential therapeutic strategies for these conditions, particularly in enhancing erythrocyte proliferation and addressing hematologic abnormalities.