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.


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.


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.


Our top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of 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
O60687

UPID:
SRPX2_HUMAN

ALTERNATIVE NAMES:
Sushi-repeat protein upregulated in leukemia

ALTERNATIVE UPACC:
O60687; B3KQT3; Q8WW85

BACKGROUND:
SRPX2, known for its alternative name Sushi-repeat protein upregulated in leukemia, is integral to angiogenesis, cellular migration, and adhesion. It facilitates endothelial cell migration, forming vascular networks essential for tissue growth and repair. SRPX2 enhances FAK phosphorylation, interacts with HGF to boost mitogenic activity, and is crucial for synapse formation. Its role in the perisylvian region, vital for language and cognitive functions, marks it as a key player in neurological development.

THERAPEUTIC SIGNIFICANCE:
Given SRPX2's link to Rolandic epilepsy and related cognitive impairments, its study offers a promising pathway to novel therapeutic interventions. The protein's multifaceted role in biological systems makes it an intriguing subject for scientific inquiry, with the potential to unlock new treatments for neurological disorders.

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