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.


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.


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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q03181

UPID:
PPARD_HUMAN

ALTERNATIVE NAMES:
NUCI; Nuclear hormone receptor 1; Nuclear receptor subfamily 1 group C member 2; Peroxisome proliferator-activated receptor beta

ALTERNATIVE UPACC:
Q03181; A8K6J6; B4E3V3; B6ZGS1; B7Z3W1; E9PE18; Q5D1P0; Q7Z5K0; Q9BUD4

BACKGROUND:
Peroxisome proliferator-activated receptor delta, identified by the accession number Q03181, is a key mediator in the regulation of fatty acid metabolism in adipose tissues. It binds to various ligands, including hypolipidemic drugs and poly-unsaturated fatty acids, to regulate gene expression related to the beta-oxidation pathway of fatty acids. This receptor also decreases the expression of NPC1L1 upon ligand activation, highlighting its significant role in lipid metabolism.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Peroxisome proliferator-activated receptor delta offers a promising avenue for developing novel therapeutic approaches.

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