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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We utilise our cutting-edge, exclusive workflow to develop focused 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
P57054

UPID:
PIGP_HUMAN

ALTERNATIVE NAMES:
Down syndrome critical region protein 5; Down syndrome critical region protein C; Phosphatidylinositol-glycan biosynthesis class P protein

ALTERNATIVE UPACC:
P57054; A0A0C4DH71; B2RB18; B2RE99; B5BU92; D3DSG7; J3KR75; Q53Y28; Q96KI1; Q9NZA6

BACKGROUND:
The protein Phosphatidylinositol N-acetylglucosaminyltransferase subunit P, known alternatively as Down syndrome critical region protein 5, is integral to the GPI-GnT complex. This complex initiates GPI biosynthesis by transferring N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol. Its involvement in this critical biosynthetic pathway underscores its importance in cellular functions.

THERAPEUTIC SIGNIFICANCE:
Linked to Developmental and epileptic encephalopathy 55, a condition characterized by refractory seizures and cognitive delays, Phosphatidylinositol N-acetylglucosaminyltransferase subunit P's study could lead to breakthroughs in treatment. Exploring its function and the genetic variants affecting it offers a promising avenue for developing targeted therapies for DEE55.

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