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.


Our high-tech, dedicated method is applied to construct targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.


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
Q9UHN6

UPID:
CEIP2_HUMAN

ALTERNATIVE NAMES:
Cell migration-inducing hyaluronidase 2; Transmembrane protein 2

ALTERNATIVE UPACC:
Q9UHN6; A6H8W9; B2RTQ6; Q5T838; Q5T839; Q5T840; Q5T841; Q8NBP6; Q9P2D5

BACKGROUND:
The protein Inactive cell surface hyaluronidase CEMIP2, alternatively named Cell migration-inducing hyaluronidase 2 and Transmembrane protein 2, is crucial in regulating hyaluronan metabolism. It influences HA metabolism by modulating the expression of enzymes CEMIP and HAS2, involved in HA breakdown and synthesis, without possessing hyaluronic acid-degrading activity itself.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Inactive cell surface hyaluronidase CEMIP2 offers a promising avenue for developing novel therapeutic approaches.

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