Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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.


We employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
Q7Z3F1

UPID:
LYCHS_HUMAN

ALTERNATIVE NAMES:
G-protein coupled receptor PGR22

ALTERNATIVE UPACC:
Q7Z3F1; B2RCI2; D3DPE2; Q4G0Y6; Q53SJ3; Q53TA8; Q69YG8; Q86SP9; Q8N261; Q8N639; Q8N8K3; Q96MV6

BACKGROUND:
G-protein coupled receptor PGR22, or Lysosomal cholesterol signaling protein, is integral to regulating the mTORC1 signaling pathway through its cholesterol-binding capability. It serves as a cholesterol sensor, enabling the signaling of cholesterol sufficiency to mTORC1. This is achieved by its interaction with cholesterol, which disrupts the GATOR1 and KICSTOR complex interaction, facilitating mTORC1 signaling activation.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of the Lysosomal cholesterol signaling protein offers promising avenues for the development of novel therapeutic strategies.

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