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 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 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
Q86T82

UPID:
UBP37_HUMAN

ALTERNATIVE NAMES:
Deubiquitinating enzyme 37; Ubiquitin thioesterase 37; Ubiquitin-specific-processing protease 37

ALTERNATIVE UPACC:
Q86T82; A2RUQ8; B7ZM38; B7ZM41; E9PHL3; Q2KHT2; Q53S10; Q7Z3A5; Q9HCH8

BACKGROUND:
Ubiquitin-specific-processing protease 37, a key regulator of the G1/S transition, prevents cyclin-A degradation by removing ubiquitin chains. This action stabilizes proteins necessary for DNA replication and cell cycle progression. Its deubiquitinase activity, especially against 'Lys-11'- and 'Lys-48'-linked polyubiquitin, is critical for maintaining cellular homeostasis and replication fidelity.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Ubiquitin-specific-processing protease 37 offers a promising avenue for developing novel therapeutic approaches.

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