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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
P16885

UPID:
PLCG2_HUMAN

ALTERNATIVE NAMES:
Phosphoinositide phospholipase C-gamma-2; Phospholipase C-IV; Phospholipase C-gamma-2

ALTERNATIVE UPACC:
P16885; D3DUL3; Q3ZTS2; Q59H45; Q969T5

BACKGROUND:
Phospholipase C-gamma-2, a key enzyme in cell signaling, mediates the production of DAG and IP3, essential for cellular communication and response mechanisms. Its alternative names include Phosphoinositide phospholipase C-gamma-2 and Phospholipase C-IV.

THERAPEUTIC SIGNIFICANCE:
Given its critical function in diseases like Familial cold autoinflammatory syndrome 3 and immune dysregulation, targeting Phospholipase C-gamma-2 offers a promising avenue for developing new therapeutic strategies to manage these conditions.

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