Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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

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
P29144

UPID:
TPP2_HUMAN

ALTERNATIVE NAMES:
Tripeptidyl aminopeptidase; Tripeptidyl-peptidase II

ALTERNATIVE UPACC:
P29144; Q5VZU8

BACKGROUND:
Tripeptidyl-peptidase 2, identified by its alternative names Tripeptidyl aminopeptidase and Tripeptidyl-peptidase II, is integral to the proteolytic cascade within the ubiquitin-proteasome pathway, focusing on the release of N-terminal tripeptides. Its significant contribution to amino acid homeostasis and adipogenesis highlights its multifaceted role in cellular metabolism.

THERAPEUTIC SIGNIFICANCE:
The association of Tripeptidyl-peptidase 2 with Immunodeficiency 78, characterized by immune dysregulation and developmental challenges, illuminates its potential as a therapeutic target. Exploring its function offers promising avenues for addressing complex immune and developmental conditions.

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