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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Q9UKT4

UPID:
FBX5_HUMAN

ALTERNATIVE NAMES:
Early mitotic inhibitor 1

ALTERNATIVE UPACC:
Q9UKT4; B3KNX5; Q5TF47; Q8WV29; Q9UGC8

BACKGROUND:
The F-box only protein 5, known as Early mitotic inhibitor 1, is integral to the regulation of the APC activity during the mitotic and meiotic cell cycle. It inhibits the APC-FZR1 complex, preventing the degradation of crucial substrates, thereby stabilizing the cell cycle. Additionally, it plays a role in oocyte maturation and meiosis, further underscoring its importance in cell division.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of F-box only protein 5 offers a promising avenue for developing novel therapeutic approaches. Given its critical role in cell cycle regulation and oocyte maturation, targeting this protein could lead to breakthroughs in cancer treatment and reproductive health.

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