Focused On-demand Library for Peroxisomal leader peptide-processing protease

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.


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.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
Q2T9J0

UPID:
TYSD1_HUMAN

ALTERNATIVE NAMES:
Trypsin domain-containing protein 1

ALTERNATIVE UPACC:
Q2T9J0; Q5SQT4; Q5SQU1; Q8N6H2; Q96AR5

BACKGROUND:
Peroxisomal leader peptide-processing protease, identified by its alternative name Trypsin domain-containing protein 1, is integral to peroxisomal functionality. It mediates the removal of leader peptides from proteins with a PTS2 target sequence and processes PTS1-containing proteins. This enzyme is essential for the peroxisomal beta-oxidation pathway of fatty acids, which is crucial for cellular energy production and lipid breakdown.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Peroxisomal leader peptide-processing protease offers a promising avenue for developing therapeutic approaches. Given its central role in peroxisomal beta-oxidation, targeting this protease could lead to novel treatments for metabolic diseases.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.