Focused On-demand Library for Furin

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
P09958

UPID:
FURIN_HUMAN

ALTERNATIVE NAMES:
Dibasic-processing enzyme; Paired basic amino acid residue-cleaving enzyme

ALTERNATIVE UPACC:
P09958; Q14336; Q6LBS3; Q9UCZ5

BACKGROUND:
The protein Furin, also referred to as Paired basic amino acid residue-cleaving enzyme, is ubiquitous in secretory pathways, mediating the cleavage of a wide range of substrates. This includes the activation of key growth factors, viral envelope glycoproteins, and bacterial toxins, showcasing its critical role in both normal cellular function and microbial pathogenesis.

THERAPEUTIC SIGNIFICANCE:
Exploring Furin's multifaceted role in biological systems makes it an intriguing subject for scientific inquiry, with the potential to unlock novel therapeutic avenues. Its central role in processing both host and pathogen proteins positions it as a unique target for therapeutic intervention.

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.


Page 7649 of 8789