Focused On-demand Library for GTP-binding protein GEM

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by 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 top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse 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
P55040

UPID:
GEM_HUMAN

ALTERNATIVE NAMES:
GTP-binding mitogen-induced T-cell protein; RAS-like protein KIR

ALTERNATIVE UPACC:
P55040; B2RA31

BACKGROUND:
GTP-binding protein GEM, known alternatively as GTP-binding mitogen-induced T-cell protein or RAS-like protein KIR, is implicated in receptor-mediated signal transduction. It binds guanine nucleotides, playing a regulatory role at the plasma membrane. Despite its guanine nucleotide-binding capability, it shows no intrinsic GTPase activity, pointing to a unique function in cellular signaling pathways.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of GTP-binding protein GEM offers a pathway to novel therapeutic interventions. Its key role in signal transduction and cellular regulation positions it as a valuable target for the development of drugs aimed at influencing these fundamental biological processes.

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