Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
P48169

UPID:
GBRA4_HUMAN

ALTERNATIVE NAMES:
GABA(A) receptor subunit alpha-4

ALTERNATIVE UPACC:
P48169; Q8IYR7

BACKGROUND:
The protein Gamma-aminobutyric acid receptor subunit alpha-4, alternatively named GABA(A) receptor subunit alpha-4, is integral to the brain's inhibitory mechanisms. It mediates neuronal inhibition by facilitating the opening of a chloride channel upon GABA binding, thereby regulating neural excitability and maintaining neurological balance.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Gamma-aminobutyric acid receptor subunit alpha-4 holds promise for identifying novel therapeutic approaches. As a central component of the brain's inhibitory system, targeting this protein could lead to breakthroughs in managing and treating various neurological disorders.

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