Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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 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 is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
O00116

UPID:
ADAS_HUMAN

ALTERNATIVE NAMES:
Aging-associated gene 5 protein; Alkylglycerone-phosphate synthase

ALTERNATIVE UPACC:
O00116; A5D8U9; Q2TU35

BACKGROUND:
Peroxisomal Alkyldihydroxyacetonephosphate synthase, identified by the alternative names Aging-associated gene 5 protein and Alkylglycerone-phosphate synthase, is crucial for the biosynthesis of ether lipids. It facilitates the exchange of acyl chains in acyl-DHAP for fatty alcohols, leading to the production of alkyl-DHAP.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Alkyldihydroxyacetonephosphate synthase could open doors to potential therapeutic strategies for conditions like Rhizomelic chondrodysplasia punctata 3, characterized by profound growth and developmental challenges.

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