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.


We employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.


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
Q14194

UPID:
DPYL1_HUMAN

ALTERNATIVE NAMES:
Collapsin response mediator protein 1; Inactive dihydropyrimidinase; Unc-33-like phosphoprotein 3

ALTERNATIVE UPACC:
Q14194; A0EJG6; Q13024; Q4W5F1; Q96TC8

BACKGROUND:
The protein Dihydropyrimidinase-related protein 1, with alternative names such as Collapsin response mediator protein 1, is pivotal in the nervous system's development. It acts downstream of SEMA3A, facilitating FLNA dissociation from F-actin, which is vital for axon guidance and cytoskeletal rearrangement. Additionally, it contributes to invasive growth and cell migration, and may play a role in cytokinesis.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Dihydropyrimidinase-related protein 1 offers a pathway to novel therapeutic avenues. Given its significant role in axon guidance and cell migration, targeting this protein could lead to breakthroughs in treating neurological disorders and improving wound healing processes.

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