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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
Q9BVA6

UPID:
FICD_HUMAN

ALTERNATIVE NAMES:
AMPylator FICD; De-AMPylase FICD; FIC domain-containing protein; Huntingtin yeast partner E; Huntingtin-interacting protein 13; Huntingtin-interacting protein E

ALTERNATIVE UPACC:
Q9BVA6; O75406

BACKGROUND:
The FIC domain-containing protein, known for its AMPylase and de-AMPylase activities, is a key regulator in the ERN1/IRE1-mediated unfolded protein response. It inactivates HSPA5/BiP in unstressed cells through AMPylation and reactivates it under ER stress by removing AMP, highlighting its critical role in protein homeostasis and stress response mechanisms.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of the FIC domain-containing protein offers promising avenues for developing novel therapeutic interventions.

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