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.


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
Q96LD8

UPID:
SENP8_HUMAN

ALTERNATIVE NAMES:
Deneddylase-1; NEDD8-specific protease 1; Protease, cysteine 2; Sentrin/SUMO-specific protease SENP8

ALTERNATIVE UPACC:
Q96LD8; Q96QA4

BACKGROUND:
Sentrin-specific protease 8, identified by its alternative names including Deneddylase-1 and NEDD8-specific protease 1, is a key enzyme in the NEDD8 pathway. It ensures the proper functioning of cellular processes by processing NEDD8 to its mature form and removing NEDD8 from proteins like cullins and p53, which is essential for maintaining protein homeostasis and cellular integrity.

THERAPEUTIC SIGNIFICANCE:
The exploration of Sentrin-specific protease 8's function offers a promising avenue for therapeutic intervention. Given its essential roles in protein processing and cell regulation, targeting this protease could lead to innovative treatments for diseases where protein misregulation is a factor.

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