Focused On-demand Library for Granulocyte colony-stimulating factor receptor

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised libraries for receptors.

Fig. 1. The sreening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.

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

Q99062

UPID:

CSF3R_HUMAN

Alternative names:

Alternative UPACC:

Q99062

Background:

The Granulocyte colony-stimulating factor receptor (G-CSFR), encoded by the gene with accession number Q99062, is pivotal in hematopoiesis. It serves as a receptor for CSF3, playing an essential role in the maturation and differentiation of cells within the neutrophil lineage. Its functions extend to promoting cell proliferation, differentiation, and survival, and it may also participate in cell surface adhesion or recognition processes.

Therapeutic significance:

G-CSFR is directly implicated in hereditary neutrophilia and severe congenital neutropenia 7, autosomal recessive, conditions marked by abnormal neutrophil counts and susceptibility to infections. Targeting G-CSFR pathways offers a promising avenue for developing treatments for these hematopoietic disorders, highlighting the receptor's therapeutic potential.