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.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


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
Receptor.AI
 
UPACC
Q5JWF2

UPID:
GNAS1_HUMAN

ALTERNATIVE NAMES:
Adenylate cyclase-stimulating G alpha protein; Extra large alphas protein

ALTERNATIVE UPACC:
Q5JWF2; A2A2S3; E1P5G3; O75684; O75685; Q5JW67; Q5JWF1; Q9NY42

BACKGROUND:
Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas are crucial for GPCR-mediated signaling, influencing adenylyl cyclase activation and cAMP production. These proteins interact with a broad spectrum of receptors, including beta-adrenergic receptors, underscoring their significance in cellular communication.

THERAPEUTIC SIGNIFICANCE:
Mutations in the GNAS gene manifest in disorders like GNAS hyperfunction and Pseudohypoparathyroidism, highlighting the therapeutic potential of targeting Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas in drug discovery efforts to treat related endocrine and metabolic diseases.

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